A0A087XNT0_POEFO Loading...

Extracellular sulfatase

AlphaFold DB , UniProt , Accession A0A087XNT0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 885 aa.

						>A0A087XNT0_POEFO|A0A087XNT0
MAGRRHPAVPPLLLLLVLVGVISEAQGSGYLSGFRLRSRLQRDRQMRNVRPNIILILTDDQDIELGSMQSMNKTRHIMEKGGTHFSNAFSTTPMCCPSRSSILTGKYVHNHHTYTNNENCSSPSWQVHHEPHTFAVHLNNSGYRTAFFGKYLNEYNGSYVPPGWKEWVALVKNSRFYNYTLCRNGVREKHSSDYPKDYLTDIITNNSINYFRMSKRIYPHRPVLMVLSHVAPHGPEDSAPQYSAAFPNASQHITPSYNYAPNPDKHWILRYTGPMKPVHMQFTNMLQRRRMQTLLSVDDSVQKVYNMLVETGELDNTYLIYTSDHGYHIGQFGLVKGKSMPYEFDIRVPFYVRGPNVEQGATNPHIVLNVDLAPTMLEMAGVDIPAEMDGKSILKLLASDRPMNRFQLNRKGKTWRDSFLVERGKPPHKRADGKEMAQEENFLPKYQRVKDLCQKAEYQTSCQQPGQKWQCVEDPTGKLRLYKCKGMAGLFAPRMQALMASSPSTMSVTSNFDDCNCGDGGLRTSVLKKKRLLNKKKVKSSKAVTRKRWARSVSFELDGDLYAVDLEEGYRSLGSGNASWTRDRWRGAAAGDDGEEFSGMGVAAKPTTRDKLTPPAALKVTYRCSILMNDTVKCDGGLYKSLQAWKDHKLHIEHEIETLQTKIKNLREVKGHLKKVRPEECQCNAPSDLLKSKEAYLLNVEQMHSLRVPSKQKTQWLQKEQKRRKKLRKFLKRLQNNDTCSMPGLTCFTHDNHHWQTAPFWTMGPFCACTSANNNTYWCLRTINDTHNFLFCEFATGFMEYFDLSTDPYQLINAVSTLDRNALNSMHQQLMGLRSCKGHKQCNPEKGGKERSHFSEYRPVHRRKRPKMKKPSSKSLGQIWEGWVG
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.8	Very low	38.2	Very low	238 Å²	238	148.5 Å²	148.5	100%	1.172	84%	0.837	S	S	*	*				0	112	0	-63.3	167.1	-178.6	0	0	105.9
2	A	34.6	Very low	37.8	Very low	109 Å²	109	148.7 Å²	148.7	90%	0.901	83%	0.833	S	S	*	*				56.7	122.6	91.3	0	0	0	0	0	111.5
3	G	31.1	Very low	37.3	Very low	74 Å²	74	148.7 Å²	148.7	76%	0.763	83%	0.829	S	S	*	*			cis	137	153.3	15.7	0	0	0	0	0	107.6
4	R	33.3	Very low	36.7	Very low	248 Å²	248	147.5 Å²	147.5	94%	0.936	82%	0.819	S	S	*	*			cis	-144.9	171.8	8.1	-71	173	162.5	159.4	-7.1	109.9
5	R	34.7	Very low	36.3	Very low	225 Å²	225	147.5 Å²	147.5	85%	0.849	82%	0.816	S	S	*	*			trans	-80.5	176.4	158.4	-66	175.4	173	170.7	-3.8	110.8
6	H	36.4	Very low	36.1	Very low	167 Å²	167	147.8 Å²	147.8	77%	0.773	82%	0.815	S	S	*	*			trans	142.2	161	142.1	-73.6	-67.3	0	0	0	112.5
7	P	53.6	Low	35.8	Very low	121 Å²	121	146.8 Å²	146.8	79%	0.786	81%	0.814	S	S	*	*				-136	-165.4	-81.6	36.8	-14.5	0	0	0	114.1
8	A	32	Very low	35.5	Very low	89 Å²	89	146.7 Å²	146.7	74%	0.736	81%	0.81	S	S	*	*			trans	-85.1	160.6	-177.2	0	0	0	0	0	115.5
9	V	33.4	Very low	35.4	Very low	140 Å²	140	146.4 Å²	146.4	85%	0.848	81%	0.813	S	S	*	*			trans	-146.9	129.6	146.5	176.4	0	0	0	0	109.7
10	P	50.6	Low	35	Very low	109 Å²	109	142.3 Å²	142.3	71%	0.708	81%	0.805	S	S	*	*			trans	-101.6	167.5	163.6	39.6	-32.9	0	0	0	111.5
11	P	44.8	Very low	34.8	Very low	113 Å²	113	141.9 Å²	141.9	73%	0.734	81%	0.806	S	S	*	*				-157.7	162.3	100.5	39.9	-20.7	0	0	0	118.9
12	L	33.3	Very low	34.6	Very low	151 Å²	151	138.2 Å²	138.2	79%	0.791	79%	0.789	S	S	*	*			trans	42.8	131	141.7	-83	61.8	0	0	0	124.8
13	L	30.7	Very low	34.2	Very low	149 Å²	149	138.3 Å²	138.3	78%	0.78	78%	0.783	S	S	*	*			trans	61.3	161.8	143.2	-85.3	78.8	0	0	0	120.8
14	L	30.1	Very low	34.2	Very low	132 Å²	132	143.4 Å²	143.4	69%	0.691	79%	0.787	S	S	*	*			cis	166.1	109.9	-36.3	176	163.1	0	0	0	107.5
15	L	30.1	Very low	34.2	Very low	148 Å²	148	135.7 Å²	135.7	78%	0.775	78%	0.776	S	S	*	*			trans	175.1	110.7	144	-113.4	117.6	0	0	0	113.4
16	L	33	Very low	33.9	Very low	151 Å²	151	134.8 Å²	134.8	79%	0.791	78%	0.782	S	S	*	*			trans	46.4	169.2	131.8	-73.1	162.9	0	0	0	124.5
17	V	31.1	Very low	33.4	Very low	132 Å²	132	130.9 Å²	130.9	80%	0.8	79%	0.786	S	S	*	*			trans	76.2	133.6	173	-170.6	0	0	0	0	114.4
18	L	31.2	Very low	32.1	Very low	144 Å²	144	129.9 Å²	129.9	75%	0.754	78%	0.782	S	S	*	*			cis	167.6	124.8	-29.2	-107.6	164	0	0	0	105.4
19	V	32.1	Very low	31.8	Very low	141 Å²	141	129 Å²	129	86%	0.855	78%	0.781	S	S	*	*			trans	64.8	136	165.1	-169.4	0	0	0	0	117.2
20	G	27.2	Very low	31.5	Very low	64 Å²	64	132.4 Å²	132.4	66%	0.66	78%	0.781	S	S	*	*			cis	156.6	175.4	-10.6	0	0	0	0	0	114.6
21	V	32.5	Very low	30.6	Very low	135 Å²	135	135.7 Å²	135.7	82%	0.818	79%	0.791	S	S	*	*			trans	79.8	153.7	163.7	-160.7	0	0	0	0	117.7
22	I	31.1	Very low	29.8	Very low	161 Å²	161	136 Å²	136	83%	0.826	80%	0.796	S	S	*	*			trans	77.9	127.2	179.3	-50.6	-177.9	0	0	0	113.8
23	S	26.6	Very low	29.7	Very low	110 Å²	110	131.9 Å²	131.9	77%	0.769	79%	0.79	S	S	*	*			cis	-136.8	157	5.6	-164.7	0	0	0	0	114.2
24	E	29.6	Very low	29.7	Very low	181 Å²	181	134.9 Å²	134.9	85%	0.846	80%	0.797	S	S	*	*			trans	-72.2	166.7	157.8	-72.4	-177	137.3	0	0	111.8
25	A	33.6	Very low	30.2	Very low	86 Å²	86	136.1 Å²	136.1	71%	0.711	79%	0.793	S	S	*	*			cis	-173.4	157.4	-25	0	0	0	0	0	109.9
26	Q	28.8	Very low	30.5	Very low	207 Å²	207	136.3 Å²	136.3	97%	0.967	79%	0.794	S	S	*	*			trans	-165.2	124.1	144.5	-112	173.7	33.3	0	0	110.9
27	G	25.8	Very low	30.9	Very low	84 Å²	84	133.6 Å²	133.6	87%	0.866	77%	0.773	S	S	*	*			trans	145.3	92.4	179	0	0	0	0	0	112.8
28	S	26.6	Very low	31.6	Very low	100 Å²	100	131.1 Å²	131.1	70%	0.699	76%	0.762	S	S	*	*			trans	-107.2	110.5	-178.2	-170.5	0	0	0	0	111.8	Y30	S28-Y30 WeakPolarHBondContact OG-CE2 3.38Å
29	G	26.3	Very low	31.9	Very low	70 Å²	70	134.4 Å²	134.4	72%	0.722	76%	0.764	S	S	*	*			trans	-120.6	126.8	170.9	0	0	0	0	0	110.9	L31	G29-L31 PolarHBondContact O-N 3.25Å
30	Y	25.7	Very low	32.6	Very low	213 Å²	213	134 Å²	134	84%	0.835	76%	0.757	S	S	*	*			trans	-94.3	68.5	-177	-81.7	-79.4	0	0	0	113.5	S28 S32	S28-Y30 WeakPolarHBondContact OG-CE2 3.38Å; Y30-S32 PolarHBondContact O-N 3.37Å
31	L	32	Very low	33.4	Very low	178 Å²	178	133.5 Å²	133.5	93%	0.932	74%	0.737	S	S	*	*			trans	-84.1	91.5	162	-81.8	170.7	0	0	0	110.2	G29	G29-L31 PolarHBondContact O-N 3.25Å
32	S	28.8	Very low	33.6	Very low	119 Å²	119	133 Å²	133	83%	0.832	72%	0.721	S	S	*	*			trans	-130.4	111.3	173.9	-171.7	0	0	0	0	111.2	Y30	Y30-S32 PolarHBondContact O-N 3.37Å
33	G	30.6	Very low	34.1	Very low	65 Å²	65	128.6 Å²	128.6	67%	0.67	70%	0.698	S	S	*	*			trans	-179.3	-12.5	-175.5	0	0	0	0	0	117.5	R35	G33-R35 PolarHBondContact O-N 2.94Å
34	F	31.4	Very low	35.3	Very low	211 Å²	211	128.3 Å²	128.3	93%	0.925	68%	0.68	S	S	*	*			trans	-78.6	81.2	-178.6	-81.7	-80.2	0	0	0	113.2
35	R	40.2	Very low	35.8	Very low	159 Å²	159	125.7 Å²	125.7	60%	0.6	67%	0.668	S	S	*	*			trans	-61.2	134	168	-63.4	-176.5	179.9	-158.1	-2.3	110.4	G33 R37 M403	G33-R35 PolarHBondContact O-N 2.94Å; R35-R37 PolarHBondContact O-N 2.73Å; R35-M403 PolarHBondContact NH1-SD 3.08Å
36	L	35.9	Very low	36.2	Very low	152 Å²	152	129.8 Å²	129.8	80%	0.796	68%	0.675	S	S	*	*			trans	-57.8	133.2	176.9	-126.7	73.9	0	0	0	111.1
37	R	41.7	Very low	37.1	Very low	93 Å²	93	128.3 Å²	128.3	35%	0.351	66%	0.66	S	S	.	*			trans	-120.7	151.9	177.2	-68.6	171.1	172.9	-178.8	-6.6	110.1	R35 Q41 R42 Q45	R35-R37 PolarHBondContact O-N 2.73Å; R37-Q41 HydrophobicContact CB-CB 4.38Å; R37-R42 PolarHBondContact O-NE 3.04Å; R37-R42 PolarHBondContact O-NH2 3.14Å; R37-Q45 VanDerWaalsContact NH2-OE1 3.14Å
38	S	46.4	Very low	38.4	Very low	80 Å²	80	131.4 Å²	131.4	56%	0.559	66%	0.657	S	S	*	*			trans	-55.3	150.2	170	55	0	0	0	0	111	L40 Q41 R42	S38-L40 PolarHBondContact O-N 3.13Å; S38-Q41 PolarHBondContact O-N 3.32Å; S38-R42 PolarHBondContact O-N 3.24Å
39	R	36.5	Very low	40.5	Very low	213 Å²	213	129.8 Å²	129.8	80%	0.804	64%	0.642	S	S	*	*	H	α-helix	trans	-51.1	-52.9	-175.8	-85.9	-176.9	168.8	173.2	-3.8	111.7	Q41 R42 D43	R39-Q41 VanDerWaalsContact C-N 3.26Å; R39-Q41 PolarHBondContact O-N 3.23Å; R39-Q41 VanDerWaalsContact O-N 3.14Å; R39-R42 WeakPolarHBondContact O-CA 3.35Å; R39-R42 WeakPolarHBondContact O-CB 3.42Å; R39-R42 PolarHBondContact O-N 2.81Å; R39-D43 PolarHBondContact O-N 3.4Å
40	L	46.5	Very low	43.4	Very low	134 Å²	134	131.3 Å²	131.3	70%	0.702	63%	0.627	S	S	*	*	H	α-helix	trans	-54.8	-34.2	177.9	-65.3	169.5	0	0	0	114.3	S38 R44	S38-L40 PolarHBondContact O-N 3.13Å; L40-R44 WeakPolarHBondContact O-CG 3.38Å; L40-R44 PolarHBondContact O-N 2.92Å
41	Q	44.3	Very low	46.7	Very low	52 Å²	52	122.1 Å²	122.1	24%	0.243	59%	0.593	C	S	.	*	H	α-helix	trans	-81.6	-19	178.7	-168.9	173.9	77.6	0	0	112.7	R37 S38 R39 N356	R37-Q41 HydrophobicContact CB-CB 4.38Å; S38-Q41 PolarHBondContact O-N 3.32Å; R39-Q41 VanDerWaalsContact C-N 3.26Å; R39-Q41 PolarHBondContact O-N 3.23Å; R39-Q41 VanDerWaalsContact O-N 3.14Å; Q41-N356 PolarHBondContact NE2-OD1 2.97Å
42	R	37.8	Very low	49.8	Very low	126 Å²	126	113.7 Å²	113.7	48%	0.475	55%	0.549	S	S	.	.	H	α-helix	trans	-74.1	-48.5	163.9	-100.3	177.5	-82.4	-170.6	-4.6	110.6	R37 S38 R39 R44 Q45 M46	R37-R42 PolarHBondContact O-NE 3.04Å; R37-R42 PolarHBondContact O-NH2 3.14Å; S38-R42 PolarHBondContact O-N 3.24Å; R39-R42 WeakPolarHBondContact O-CA 3.35Å; R39-R42 WeakPolarHBondContact O-CB 3.42Å; R39-R42 PolarHBondContact O-N 2.81Å; R42-R44 PolarHBondContact O-N 2.76Å; R42-Q45 PolarHBondContact O-N 2.85Å; R42-M46 PolarHBondContact O-N 2.85Å
43	D	40.8	Very low	53.2	Low	67 Å²	67	108 Å²	108	36%	0.358	51%	0.509	S	S	.	.	H	α-helix	trans	-57.1	-45.4	179.6	-69.4	-51.3	0	0	0	112.7	R39 Q45 M46 R47	R39-D43 PolarHBondContact O-N 3.4Å; D43-Q45 PolarHBondContact O-N 3.17Å; D43-M46 PolarHBondContact O-N 3.34Å; D43-R47 WeakPolarHBondContact O-CB 3.24Å; D43-R47 VanDerWaalsContact O-CG 3.24Å; D43-R47 WeakPolarHBondContact O-CG 3.44Å; D43-R47 PolarHBondContact O-N 2.97Å
44	R	50.8	Low	56.4	Low	105 Å²	105	104.9 Å²	104.9	40%	0.396	48%	0.477	S	S	.	.	H	α-helix	trans	-61.6	-42.9	179.5	-75.5	-173.4	-177.1	-160.1	5.4	113.2	L40 R42 R47 N48 D315	L40-R44 WeakPolarHBondContact O-CG 3.38Å; L40-R44 PolarHBondContact O-N 2.92Å; R42-R44 PolarHBondContact O-N 2.76Å; R44-R47 PolarHBondContact O-N 3.32Å; R44-N48 PolarHBondContact O-N 2.76Å; R44-D315 VanDerWaalsContact CZ-O 3.3Å; R44-D315 PolarHBondContact NH1-O 3.03Å; R44-D315 VanDerWaalsContact NH2-CB 3.34Å; R44-D315 PolarHBondContact NH2-O 2.82Å
45	Q	42	Very low	59.6	Low	126 Å²	126	94.9 Å²	94.9	59%	0.589	43%	0.433	S	S	*	.	H	α-helix	trans	-77.6	-22.2	179.3	-167.5	164.7	-3.5	0	0	112.9	R37 R42 D43 R47	R37-Q45 VanDerWaalsContact NH2-OE1 3.14Å; R42-Q45 PolarHBondContact O-N 2.85Å; D43-Q45 PolarHBondContact O-N 3.17Å; Q45-R47 VanDerWaalsContact C-N 3.32Å
46	M	40.5	Very low	62.4	Low	171 Å²	171	87.4 Å²	87.4	84%	0.842	41%	0.405	S	S	*	.	H	α-helix	trans	-73.7	-19.6	166.3	-87.9	-173.9	149.9	0	0	113.8	R42 D43	R42-M46 PolarHBondContact O-N 2.85Å; D43-M46 PolarHBondContact O-N 3.34Å
47	R	47.6	Very low	65.4	Low	177 Å²	177	80.5 Å²	80.5	67%	0.668	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.4	0.2	-176.5	-67.7	176.7	-167	-143.2	5.5	115.3	D43 R44 Q45 V49	D43-R47 WeakPolarHBondContact O-CB 3.24Å; D43-R47 VanDerWaalsContact O-CG 3.24Å; D43-R47 WeakPolarHBondContact O-CG 3.44Å; D43-R47 PolarHBondContact O-N 2.97Å; R44-R47 PolarHBondContact O-N 3.32Å; Q45-R47 VanDerWaalsContact C-N 3.32Å; R47-V49 HydrophobicContact CB-CG2 3.99Å; R47-V49 PolarHBondContact O-N 3.37Å
48	N	52.8	Low	68	Low	149 Å²	149	76 Å²	76	80%	0.797	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.7	24.1	178.6	-81	-22.3	0	0	0	115.9	R44 R50	R44-N48 PolarHBondContact O-N 2.76Å; N48-R50 PolarHBondContact O-N 3.05Å
49	V	71.9	Confident	70.4	Confident	65 Å²	65	72.2 Å²	72.2	39%	0.394	33%	0.325	S	S	.	.			trans	-77.4	111.4	-177.7	-175.2	0	0	0	0	110.1	R47	R47-V49 HydrophobicContact CB-CG2 3.99Å; R47-V49 PolarHBondContact O-N 3.37Å
50	R	87.9	Confident	73.2	Confident	103 Å²	103	62.2 Å²	62.2	39%	0.389	29%	0.288	S	S	.	.	P	Polyproline II helix	trans	-72.8	144.9	168.2	-68.6	-177.6	179.2	156.3	-0.9	110.5	N48 S141 P222 A380	N48-R50 PolarHBondContact O-N 3.05Å; R50-S141 PolarHBondContact NH1-O 3.06Å; R50-P222 HydrophobicContact CB-CB 4.22Å; R50-P222 HydrophobicContact CB-CG 4.07Å; R50-A380 VanDerWaalsContact CD-O 3.28Å; R50-A380 WeakPolarHBondContact CD-O 3.24Å; R50-A380 PolarHBondContact NE-O 2.75Å
51	P	94.7	Very high	75.6	Confident	20 Å²	20	55.8 Å²	55.8	13%	0.13	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-76.4	154.2	-178.7	31.2	-33.9	0	0	0	112.2	Y143 N316 Y318 P355 M379	P51-Y143 WeakPolarHBondContact O-CE1 3.47Å; P51-Y143 PolarHBondContact O-OH 3.45Å; P51-N316 CarbonylContact C-O 3.49Å; P51-N316 WeakPolarHBondContact CA-O 3.39Å; P51-N316 VanDerWaalsContact CB-O 3.24Å; P51-N316 WeakPolarHBondContact CB-O 2.86Å; P51-Y318 HydrophobicContact CB-CD2 4.06Å; P51-Y318 HydrophobicContact CB-CE2 4.07Å; P51-Y318 HydrophobicContact CG-CD2 3.93Å; P51-Y318 HydrophobicContact CG-CE2 3.65Å; P51-P355 HydrophobicContact CB-CG 4.38Å; P51-M379 VanDerWaalsContact CG-O 3.25Å; P51-M379 WeakPolarHBondContact CG-O 3.45Å
52	N	97.6	Very high	78	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	157.3	166.4	-39.5	-63	0	0	0	110	F211 K215 V223 E313 N316 T317 Y318	N52-F211 HydrophobicContact CB-CE2 4.29Å; N52-K215 WeakPolarHBondContact OD1-CE 3.42Å; N52-K215 PolarHBondContact OD1-NZ 3.45Å; N52-V223 CarbonylContact C-O 3.52Å; N52-V223 VanDerWaalsContact CA-O 3.27Å; N52-V223 WeakPolarHBondContact CA-O 3.22Å; N52-V223 HydrophobicContact CB-CB 4.42Å; N52-V223 WeakPolarHBondContact CB-O 3.36Å; N52-V223 PolarHBondContact OD1-N 3.14Å; N52-V223 VanDerWaalsContact OD1-N 3.15Å; N52-E313 PolarHBondContact ND2-OE2 3.3Å; N52-N316 PolarHBondContact N-O 2.98Å; N52-T317 HydrophobicContact CB-CG2 4.06Å; N52-T317 PolarHBondContact ND2-OG1 3.09Å; N52-T317 WeakPolarHBondContact O-CA 3.24Å; N52-Y318 PolarHBondContact O-N 2.85Å
53	I	98.3	Very high	80.6	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	121.7	178.4	-57.3	177	0	0	0	108.3	Y143 V223 L224 M225 Y318 M376 M379 A380	I53-Y143 HydrophobicContact CD1-CE1 4.35Å; I53-Y143 HydrophobicContact CG1-CE1 4.37Å; I53-V223 PolarHBondContact N-O 3Å; I53-L224 HydrophobicContact CB-CD1 3.9Å; I53-L224 HydrophobicContact CG2-CD1 3.87Å; I53-L224 CarbonylContact O-C 3.54Å; I53-L224 VanDerWaalsContact O-CA 3.29Å; I53-L224 WeakPolarHBondContact O-CA 3.1Å; I53-M225 PolarHBondContact O-N 3.28Å; I53-Y318 CarbonylContact C-O 2.97Å; I53-Y318 WeakPolarHBondContact CA-O 3.08Å; I53-M376 HydrophobicContact CD1-CB 4.24Å; I53-M376 WeakPolarHBondContact CD1-O 3.44Å; I53-M376 HydrophobicContact CG2-CG 3.89Å; I53-M376 HydrophobicContact CG2-SD 3.94Å; I53-M379 HydrophobicContact CD1-CB 3.88Å; I53-A380 HydrophobicContact CD1-CB 4.4Å
54	I	98.6	Very high	83.1	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	116.9	174.6	-55.8	-171.8	0	0	0	108.6	I56 F211 M225 L227 V304 L308 T317 Y318 L319 I320	I54-I56 HydrophobicContact CG2-CG1 4.25Å; I54-F211 HydrophobicContact CD1-CD2 4.27Å; I54-F211 HydrophobicContact CD1-CE2 4.28Å; I54-M225 WeakPolarHBondContact CA-O 3.44Å; I54-M225 HydrophobicContact CG1-CB 4.35Å; I54-M225 HydrophobicContact CG2-CB 4.48Å; I54-L227 HydrophobicContact CG2-CD1 4.01Å; I54-V304 HydrophobicContact CD1-CG1 4.21Å; I54-V304 HydrophobicContact CG2-CG1 4.42Å; I54-L308 HydrophobicContact CD1-CD1 4.23Å; I54-L308 HydrophobicContact CD1-CD2 4.16Å; I54-T317 HydrophobicContact CD1-CG2 4.06Å; I54-T317 HydrophobicContact CG1-CG2 3.9Å; I54-Y318 PolarHBondContact N-O 3.24Å; I54-L319 HydrophobicContact CB-CD1 3.85Å; I54-L319 HydrophobicContact CG2-CD1 3.77Å; I54-L319 WeakPolarHBondContact O-CA 3.38Å; I54-I320 PolarHBondContact O-N 2.84Å
55	L	98.7	Very high	85	Confident	1 Å²	1	43.4 Å²	43.4	1%	0.005	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	113.1	174.3	176.3	62.3	0	0	0	109.2	M225 V226 L227 I320 T322 L372 M376	L55-M225 PolarHBondContact N-O 2.87Å; L55-V226 HydrophobicContact CB-CG2 4.31Å; L55-V226 HydrophobicContact CD2-CG1 4.28Å; L55-V226 HydrophobicContact CD2-CG2 4.43Å; L55-V226 HydrophobicContact CG-CG1 4.43Å; L55-V226 CarbonylContact O-C 3.51Å; L55-V226 WeakPolarHBondContact O-CA 3.28Å; L55-L227 PolarHBondContact O-N 3.21Å; L55-I320 HydrophobicContact CD1-CB 3.94Å; L55-I320 HydrophobicContact CD1-CG2 3.69Å; L55-T322 HydrophobicContact CD1-CG2 3.89Å; L55-L372 HydrophobicContact CD1-CD2 4.22Å; L55-M376 HydrophobicContact CD2-CE 4.2Å; L55-M376 HydrophobicContact CD2-SD 4.34Å
56	I	98.7	Very high	87.4	Confident	1 Å²	1	37.8 Å²	37.8	1%	0.005	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	121.3	169.7	-56.9	-175.4	0	0	0	107.3	I54 L227 V301 L319 I320 Y321 T322	I54-I56 HydrophobicContact CG2-CG1 4.25Å; I56-L227 HydrophobicContact CG1-CB 4.37Å; I56-L227 HydrophobicContact CG1-CD2 4.47Å; I56-V301 HydrophobicContact CD1-CG2 3.86Å; I56-V301 HydrophobicContact CG2-CG2 4.37Å; I56-L319 HydrophobicContact CD1-CD1 3.85Å; I56-L319 HydrophobicContact CG1-CD1 4.11Å; I56-I320 PolarHBondContact N-O 2.74Å; I56-Y321 HydrophobicContact CB-CD2 4.08Å; I56-Y321 HydrophobicContact CG2-CD2 3.78Å; I56-Y321 HydrophobicContact CG2-CE2 4.06Å; I56-Y321 WeakPolarHBondContact O-CA 3.49Å; I56-T322 PolarHBondContact O-N 2.96Å
57	L	98.3	Very high	89.9	Confident	7 Å²	7	29.6 Å²	29.6	4%	0.037	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	125.3	-174.1	179.6	65.5	0	0	0	109.9	I102 L227 S228 H229 T322 D324	L57-I102 HydrophobicContact CD1-CD1 4.06Å; L57-I102 HydrophobicContact CD2-CD1 4.33Å; L57-L227 PolarHBondContact N-O 3.39Å; L57-S228 CarbonylContact O-C 3.55Å; L57-S228 WeakPolarHBondContact O-CA 3.42Å; L57-H229 PolarHBondContact O-N 3.02Å; L57-T322 VanDerWaalsContact CA-O 3.3Å; L57-T322 WeakPolarHBondContact CA-O 3.38Å; L57-T322 HydrophobicContact CD1-CG2 3.87Å; L57-D324 HydrophobicContact CD1-CB 4.22Å
58	T	97.9	Very high	92.1	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	175	172.7	47.5	0	0	0	0	112	Q61 R99 A231 V297 T322 S323 D324	T58-Q61 VanDerWaalsContact CB-OE1 3.23Å; T58-Q61 VanDerWaalsContact CG2-OE1 3.25Å; T58-Q61 WeakPolarHBondContact OG1-CB 3.37Å; T58-Q61 PolarHBondContact OG1-OE1 3.2Å; T58-R99 PolarHBondContact O-NH2 3.23Å; T58-R99 VanDerWaalsContact O-NH2 3.1Å; T58-A231 WeakPolarHBondContact CB-O 3.43Å; T58-V297 HydrophobicContact CG2-CG1 4.04Å; T58-T322 PolarHBondContact N-O 2.68Å; T58-T322 PolarHBondContact OG1-O 2.88Å; T58-S323 WeakPolarHBondContact OG1-CA 3.45Å; T58-D324 PolarHBondContact O-N 2.86Å
59	D	96.4	Very high	93.9	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.096	C	C	.	.	S	Bend	trans	-131.7	117.7	-172.2	-157.1	-135.2	0	0	0	109.6	R99 K150 S174 A231 P232 H233 D324	D59-R99 IonicContact OD2-CZ 2.77Å; D59-R99 VanDerWaalsContact OD2-CZ 3.27Å; D59-R99 IonicContact OD2-NE 3.1Å; D59-R99 PolarHBondContact OD2-NE 3.21Å; D59-R99 VanDerWaalsContact OD2-NE 3.14Å; D59-R99 IonicContact OD2-NH2 3.32Å; D59-R99 PolarHBondContact OD2-NH2 3.11Å; D59-K150 WeakPolarHBondContact OD1-CD 3.31Å; D59-K150 IonicContact OD1-NZ 2.75Å; D59-K150 PolarHBondContact OD1-NZ 2.79Å; D59-K150 VanDerWaalsContact OD2-CD 3.27Å; D59-K150 WeakPolarHBondContact OD2-CD 3.47Å; D59-K150 WeakPolarHBondContact OD2-CE 3.42Å; D59-K150 IonicContact OD2-NZ 3.36Å; D59-K150 PolarHBondContact OD2-NZ 3.18Å; D59-S174 PolarHBondContact OD1-OG 3.29Å; D59-A231 PolarHBondContact N-O 3.01Å; D59-A231 CarbonylContact O-C 3.51Å; D59-P232 WeakPolarHBondContact O-CD 3.23Å; D59-P232 VanDerWaalsContact O-N 3.08Å; D59-H233 HydrophobicContact CB-CB 4.06Å; D59-H233 PolarHBondContact O-N 3.33Å; D59-H233 VanDerWaalsContact OD1-CB 3.25Å; D59-H233 WeakPolarHBondContact OD1-CB 3.44Å; D59-H233 IonicContact OD1-CD2 3.47Å; D59-H233 PolarHBondContact OD1-CD2 2.89Å; D59-H233 IonicContact OD1-CG 3.66Å; D59-D324 WeakPolarHBondContact CA-OD1 3.35Å
60	D	95.3	Very high	94.9	Very high	2 Å²	2	16.7 Å²	16.7	1%	0.011	8%	0.079	C	C	.	.	S	Bend	trans	63	33.3	-173.3	-62.8	14.3	0	0	0	114.7	C95 H233 R290 D324 H325 Y327 K338	D60-C95 PolarHBondContact OD1-SG 3Å; D60-C95 VanDerWaalsContact OD1-SG 3.4Å; D60-H233 HydrophobicContact CB-CB 4.19Å; D60-H233 IonicContact OD1-CD2 2.83Å; D60-H233 PolarHBondContact OD1-CD2 3.43Å; D60-H233 VanDerWaalsContact OD1-CD2 3.23Å; D60-H233 IonicContact OD2-CD2 2.93Å; D60-H233 PolarHBondContact OD2-CD2 3.1Å; D60-H233 IonicContact OD2-CG 2.71Å; D60-H233 IonicContact OD2-NE2 3.27Å; D60-R290 PolarHBondContact O-NH1 3.09Å; D60-R290 PolarHBondContact O-NH2 3.08Å; D60-D324 PolarHBondContact N-OD1 3.41Å; D60-D324 VanDerWaalsContact N-OD1 3.13Å; D60-H325 IonicContact OD1-CE1 2.86Å; D60-H325 PolarHBondContact OD1-CE1 3.02Å; D60-H325 IonicContact OD1-NE2 3.93Å; D60-Y327 HydrophobicContact CB-CD2 3.62Å; D60-Y327 HydrophobicContact CB-CE2 4.08Å; D60-Y327 HydrophobicContact CB-CG 4.37Å; D60-Y327 WeakPolarHBondContact OD2-CD2 3.47Å; D60-Y327 WeakPolarHBondContact OD2-CE2 3.29Å; D60-K338 IonicContact OD1-NZ 2.6Å; D60-K338 PolarHBondContact OD1-NZ 3.18Å; D60-K338 IonicContact OD2-NZ 3.88Å; D60-K338 PolarHBondContact OD2-NZ 3.31Å
61	Q	96.7	Very high	95.2	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.06	C	C	.	.			trans	-94.4	115.1	177.1	-170.3	178.9	2.7	0	0	113.2	T58 S67 M68 P232 L294 Y321 S323 H325 P349	T58-Q61 VanDerWaalsContact CB-OE1 3.23Å; T58-Q61 VanDerWaalsContact CG2-OE1 3.25Å; T58-Q61 WeakPolarHBondContact OG1-CB 3.37Å; T58-Q61 PolarHBondContact OG1-OE1 3.2Å; Q61-S67 WeakPolarHBondContact CG-OG 3.24Å; Q61-S67 PolarHBondContact NE2-OG 3.35Å; Q61-M68 PolarHBondContact NE2-SD 3.48Å; Q61-M68 VanDerWaalsContact NE2-SD 3.35Å; Q61-P232 HydrophobicContact CB-CG 4.05Å; Q61-P232 HydrophobicContact CG-CG 4.33Å; Q61-L294 HydrophobicContact CG-CD1 4.41Å; Q61-L294 HydrophobicContact CG-CD2 4.47Å; Q61-Y321 PolarHBondContact NE2-OH 3.33Å; Q61-Y321 PolarHBondContact OE1-OH 2.68Å; Q61-S323 WeakPolarHBondContact CA-OG 3.43Å; Q61-S323 WeakPolarHBondContact CB-OG 3.36Å; Q61-S323 PolarHBondContact N-OG 3.45Å; Q61-S323 VanDerWaalsContact N-OG 3.08Å; Q61-S323 VanDerWaalsContact O-CB 3.25Å; Q61-S323 WeakPolarHBondContact O-CB 3.47Å; Q61-S323 PolarHBondContact O-OG 3.13Å; Q61-H325 CarbonylContact C-O 3.6Å; Q61-H325 PolarHBondContact N-O 2.89Å; Q61-H325 VanDerWaalsContact O-O 3.05Å; Q61-P349 HydrophobicContact CG-CG 4.31Å
62	D	94.6	Very high	95.3	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.081	C	C	.	.			trans	-74.5	169.1	171.5	62.7	-88.8	0	0	0	113.3	L65 S67 R290	D62-L65 HydrophobicContact CB-CG 4.18Å; D62-L65 WeakPolarHBondContact OD2-CA 3.26Å; D62-L65 VanDerWaalsContact OD2-CB 3.24Å; D62-L65 WeakPolarHBondContact OD2-CB 3.4Å; D62-L65 PolarHBondContact OD2-N 3.28Å; D62-L65 VanDerWaalsContact OD2-N 3.07Å; D62-S67 WeakPolarHBondContact O-CB 3.41Å; D62-S67 PolarHBondContact O-OG 2.52Å; D62-S67 WeakPolarHBondContact OD2-CB 3.49Å; D62-S67 PolarHBondContact OD2-N 3.11Å; D62-R290 IonicContact OD1-CZ 3.06Å; D62-R290 IonicContact OD1-NH2 2.8Å; D62-R290 PolarHBondContact OD1-NH2 3.18Å
63	I	93.5	Very high	95.2	Very high	37 Å²	37	19.2 Å²	19.2	19%	0.19	10%	0.096	C	C	.	.	S	Bend	trans	-112.6	-34.4	159.4	-167.5	169	0	0	0	112.2	L65 G66 R347	I63-L65 PolarHBondContact O-N 3.25Å; I63-G66 PolarHBondContact O-N 3.24Å; I63-G66 VanDerWaalsContact O-N 3.12Å; I63-R347 HydrophobicContact CG2-CB 3.92Å; I63-R347 HydrophobicContact CG2-CG 3.69Å
64	E	91.9	Very high	95.2	Very high	52 Å²	52	19.2 Å²	19.2	24%	0.243	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-26.4	-174.5	-63.1	-57.3	142.1	0	0	114.7	G66 E343 F344 R347	E64-G66 PolarHBondContact O-N 3.14Å; E64-E343 HydrophobicContact CG-CB 4.19Å; E64-F344 HydrophobicContact CB-CB 4.13Å; E64-F344 HydrophobicContact CG-CB 4.4Å; E64-R347 WeakPolarHBondContact OE1-CD 3.41Å; E64-R347 IonicContact OE1-CZ 2.71Å; E64-R347 IonicContact OE1-NE 3.57Å; E64-R347 IonicContact OE1-NH1 3.58Å; E64-R347 PolarHBondContact OE1-NH1 3.29Å
65	L	92	Very high	95	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.005	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	10	176.5	-42.3	-178.2	0	0	0	111.7	D62 I63 Q251 H252 T254 Q287 Y327 I329	D62-L65 HydrophobicContact CB-CG 4.18Å; D62-L65 WeakPolarHBondContact OD2-CA 3.26Å; D62-L65 VanDerWaalsContact OD2-CB 3.24Å; D62-L65 WeakPolarHBondContact OD2-CB 3.4Å; D62-L65 PolarHBondContact OD2-N 3.28Å; D62-L65 VanDerWaalsContact OD2-N 3.07Å; I63-L65 PolarHBondContact O-N 3.25Å; L65-Q251 VanDerWaalsContact O-CB 3.23Å; L65-Q251 WeakPolarHBondContact O-CB 3.44Å; L65-H252 HydrophobicContact CB-CB 4.01Å; L65-H252 HydrophobicContact CD1-CB 4.39Å; L65-H252 HydrophobicContact CD2-CB 4.38Å; L65-H252 HydrophobicContact CG-CB 4.5Å; L65-T254 HydrophobicContact CD2-CG2 4.5Å; L65-Q287 PolarHBondContact O-NE2 2.84Å; L65-Y327 WeakPolarHBondContact CD1-O 3.25Å; L65-I329 HydrophobicContact CD1-CB 4.11Å; L65-I329 HydrophobicContact CD1-CD1 3.76Å; L65-I329 HydrophobicContact CD1-CG1 3.67Å
66	G	90.8	Very high	94.8	Very high	7 Å²	7	28.8 Å²	28.8	7%	0.072	14%	0.136	C	C	.	.			trans	81.1	18.7	175.4	0	0	0	0	0	115	I63 E64 M68 Q69	I63-G66 PolarHBondContact O-N 3.24Å; I63-G66 VanDerWaalsContact O-N 3.12Å; E64-G66 PolarHBondContact O-N 3.14Å; G66-M68 VanDerWaalsContact C-N 3.28Å; G66-M68 PolarHBondContact O-N 3.04Å; G66-M68 VanDerWaalsContact O-N 3.14Å; G66-Q69 WeakPolarHBondContact O-CB 3.18Å; G66-Q69 WeakPolarHBondContact O-CG 3.45Å; G66-Q69 PolarHBondContact O-N 2.78Å
67	S	93.5	Very high	94.7	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-53.1	-40.6	-172.7	86.9	0	0	0	0	114.5	Q61 D62 Q69 S70	Q61-S67 WeakPolarHBondContact CG-OG 3.24Å; Q61-S67 PolarHBondContact NE2-OG 3.35Å; D62-S67 WeakPolarHBondContact O-CB 3.41Å; D62-S67 PolarHBondContact O-OG 2.52Å; D62-S67 WeakPolarHBondContact OD2-CB 3.49Å; D62-S67 PolarHBondContact OD2-N 3.11Å; S67-Q69 PolarHBondContact O-N 3.35Å; S67-Q69 VanDerWaalsContact O-N 3.16Å; S67-S70 PolarHBondContact O-N 2.79Å; S67-S70 VanDerWaalsContact O-N 3.14Å; S67-S70 PolarHBondContact O-OG 2.95Å
68	M	94.4	Very high	94.5	Very high	9 Å²	9	29 Å²	29	4%	0.044	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-64.6	-19.8	178.7	-69.7	-55.8	-50.9	0	0	113.2	Q61 G66 S70 M71 T74 R75 Y321 P349 Y351	Q61-M68 PolarHBondContact NE2-SD 3.48Å; Q61-M68 VanDerWaalsContact NE2-SD 3.35Å; G66-M68 VanDerWaalsContact C-N 3.28Å; G66-M68 PolarHBondContact O-N 3.04Å; G66-M68 VanDerWaalsContact O-N 3.14Å; M68-S70 PolarHBondContact O-N 3.2Å; M68-M71 HydrophobicContact CE-CB 4.1Å; M68-M71 PolarHBondContact O-N 2.79Å; M68-M71 HydrophobicContact SD-SD 4.33Å; M68-T74 HydrophobicContact CE-CG2 4.02Å; M68-R75 HydrophobicContact CB-CG 4.48Å; M68-R75 HydrophobicContact CE-CG 3.77Å; M68-R75 WeakPolarHBondContact O-CD 3.35Å; M68-Y321 HydrophobicContact CE-CE1 4.18Å; M68-Y321 HydrophobicContact SD-CE1 3.77Å; M68-P349 HydrophobicContact CG-CB 3.73Å; M68-P349 HydrophobicContact CG-CG 4.38Å; M68-P349 HydrophobicContact SD-CB 3.64Å; M68-P349 HydrophobicContact SD-CG 4.04Å; M68-Y351 HydrophobicContact CE-CE2 3.63Å; M68-Y351 HydrophobicContact CG-CE2 4.35Å; M68-Y351 HydrophobicContact SD-CE2 4.08Å
69	Q	91.3	Very high	94.2	Very high	106 Å²	106	31.1 Å²	31.1	50%	0.495	15%	0.147	S	C	.	.	G	3₁₀ helix	trans	-67.2	-20.9	176.6	-56.2	-179.4	15.5	0	0	112.5	G66 S67 M71	G66-Q69 WeakPolarHBondContact O-CB 3.18Å; G66-Q69 WeakPolarHBondContact O-CG 3.45Å; G66-Q69 PolarHBondContact O-N 2.78Å; S67-Q69 PolarHBondContact O-N 3.35Å; S67-Q69 VanDerWaalsContact O-N 3.16Å; Q69-M71 VanDerWaalsContact C-N 3.31Å
70	S	91.6	Very high	93.8	Very high	4 Å²	4	37.7 Å²	37.7	3%	0.028	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-80.3	-12.1	171.6	74.7	0	0	0	0	113.4	S67 M68 F246 L295	S67-S70 PolarHBondContact O-N 2.79Å; S67-S70 VanDerWaalsContact O-N 3.14Å; S67-S70 PolarHBondContact O-OG 2.95Å; M68-S70 PolarHBondContact O-N 3.2Å; S70-F246 VanDerWaalsContact CB-CZ 3.41Å; S70-L295 WeakPolarHBondContact O-CD2 3.49Å
71	M	95.4	Very high	93.4	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	18%	0.179	C	C	.	.			trans	-110.9	58.7	-166.6	-61.1	-166.6	71.7	0	0	112.2	M68 Q69 K73 T74 R75 L294 V297 D298 Y321	M68-M71 HydrophobicContact CE-CB 4.1Å; M68-M71 PolarHBondContact O-N 2.79Å; M68-M71 HydrophobicContact SD-SD 4.33Å; Q69-M71 VanDerWaalsContact C-N 3.31Å; M71-K73 VanDerWaalsContact C-N 3.31Å; M71-K73 PolarHBondContact O-N 2.79Å; M71-T74 PolarHBondContact O-N 2.95Å; M71-R75 WeakPolarHBondContact O-CB 3.47Å; M71-R75 WeakPolarHBondContact O-CG 3.45Å; M71-R75 PolarHBondContact O-N 2.99Å; M71-L294 HydrophobicContact CG-CB 3.97Å; M71-L294 HydrophobicContact CG-CD1 4.44Å; M71-L294 HydrophobicContact SD-CB 3.88Å; M71-L294 HydrophobicContact SD-CD1 4.08Å; M71-L294 HydrophobicContact SD-CD2 3.81Å; M71-L294 HydrophobicContact SD-CG 4.14Å; M71-V297 HydrophobicContact CE-CB 3.81Å; M71-V297 HydrophobicContact CE-CG1 3.88Å; M71-D298 VanDerWaalsContact CA-CG 3.48Å; M71-D298 VanDerWaalsContact CA-OD1 3.32Å; M71-D298 WeakPolarHBondContact CA-OD1 3.22Å; M71-D298 HydrophobicContact CB-CB 4.43Å; M71-D298 WeakPolarHBondContact CB-OD1 3.46Å; M71-D298 HydrophobicContact CE-CB 4.04Å; M71-D298 HydrophobicContact CG-CB 4.48Å; M71-Y321 HydrophobicContact CE-CE2 4.22Å; M71-Y321 VanDerWaalsContact CE-OH 3.29Å; M71-Y321 WeakPolarHBondContact CE-OH 3.4Å; M71-Y321 PolarHBondContact SD-OH 3.34Å
72	N	95.2	Very high	93.2	Very high	107 Å²	107	37.9 Å²	37.9	57%	0.572	18%	0.179	S	C	*	.	H	α-helix	trans	-63.8	-31.6	-172.3	-75	-38.4	0	0	0	113.5	H76 D298	N72-H76 WeakPolarHBondContact O-CB 3.36Å; N72-H76 PolarHBondContact O-N 3.14Å; N72-D298 PolarHBondContact N-OD2 3.24Å
73	K	96.9	Very high	93.2	Very high	70 Å²	70	38 Å²	38	30%	0.304	18%	0.18	S	C	.	.	H	α-helix	trans	-71	-47.3	178.6	-56.5	164.6	171.5	-157.2	0	110.7	M71 H76 I77 D298 D299 Q302	M71-K73 VanDerWaalsContact C-N 3.31Å; M71-K73 PolarHBondContact O-N 2.79Å; K73-H76 PolarHBondContact O-N 3.49Å; K73-I77 WeakPolarHBondContact O-CB 3.29Å; K73-I77 WeakPolarHBondContact O-CD1 3.33Å; K73-I77 VanDerWaalsContact O-CG1 3.27Å; K73-I77 WeakPolarHBondContact O-CG1 3.05Å; K73-I77 PolarHBondContact O-N 2.86Å; K73-D298 VanDerWaalsContact CB-OD2 3.28Å; K73-D298 WeakPolarHBondContact CB-OD2 3.27Å; K73-D298 HydrophobicContact CD-CB 4.44Å; K73-D298 WeakPolarHBondContact CD-OD2 3.34Å; K73-D298 VanDerWaalsContact CG-OD2 3.23Å; K73-D298 WeakPolarHBondContact CG-OD2 3.38Å; K73-D298 PolarHBondContact N-OD1 3.21Å; K73-D298 PolarHBondContact N-OD2 3.36Å; K73-D299 IonicContact NZ-OD1 2.67Å; K73-D299 PolarHBondContact NZ-OD1 2.71Å; K73-Q302 HydrophobicContact CB-CB 4.44Å; K73-Q302 HydrophobicContact CD-CB 4.25Å; K73-Q302 VanDerWaalsContact CD-OE1 3.29Å; K73-Q302 VanDerWaalsContact CE-OE1 3.28Å
74	T	96.9	Very high	93.3	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-59.7	-49.2	177	-59.1	0	0	0	0	110.2	M68 M71 H76 I77 M78 D298 V301 Y321	M68-T74 HydrophobicContact CE-CG2 4.02Å; M71-T74 PolarHBondContact O-N 2.95Å; T74-H76 PolarHBondContact O-N 2.66Å; T74-I77 PolarHBondContact O-N 3.12Å; T74-M78 HydrophobicContact CG2-CG 4.14Å; T74-M78 WeakPolarHBondContact O-CB 3.38Å; T74-M78 VanDerWaalsContact O-CG 3.26Å; T74-M78 WeakPolarHBondContact O-CG 3.34Å; T74-M78 PolarHBondContact O-N 3.45Å; T74-D298 WeakPolarHBondContact CB-OD1 3.38Å; T74-D298 PolarHBondContact N-OD1 3.41Å; T74-D298 PolarHBondContact OG1-OD1 2.86Å; T74-V301 HydrophobicContact CG2-CG1 4.18Å; T74-V301 HydrophobicContact CG2-CG2 4.11Å; T74-V301 WeakPolarHBondContact OG1-CB 3.34Å; T74-V301 WeakPolarHBondContact OG1-CG2 3.42Å; T74-Y321 HydrophobicContact CG2-CD1 4.5Å; T74-Y321 HydrophobicContact CG2-CD2 3.9Å; T74-Y321 HydrophobicContact CG2-CE1 4.46Å; T74-Y321 HydrophobicContact CG2-CE2 3.86Å; T74-Y321 HydrophobicContact CG2-CG 4.23Å
75	R	95.1	Very high	93.5	Very high	85 Å²	85	35.4 Å²	35.4	32%	0.321	17%	0.166	S	C	.	.	H	α-helix	trans	-57.9	-46.9	174.8	-71.7	-170.6	65.2	-146.5	-9.7	111.6	M68 M71 I77 M78 E79	M68-R75 HydrophobicContact CB-CG 4.48Å; M68-R75 HydrophobicContact CE-CG 3.77Å; M68-R75 WeakPolarHBondContact O-CD 3.35Å; M71-R75 WeakPolarHBondContact O-CB 3.47Å; M71-R75 WeakPolarHBondContact O-CG 3.45Å; M71-R75 PolarHBondContact O-N 2.99Å; R75-I77 PolarHBondContact O-N 3.14Å; R75-M78 PolarHBondContact O-N 3.35Å; R75-E79 HydrophobicContact CB-CG 4.48Å; R75-E79 WeakPolarHBondContact CG-OE1 3.46Å; R75-E79 IonicContact CZ-OE1 2.76Å; R75-E79 IonicContact CZ-OE2 3.47Å; R75-E79 VanDerWaalsContact NE-CD 3.28Å; R75-E79 IonicContact NE-OE1 3.08Å; R75-E79 PolarHBondContact NE-OE1 2.74Å; R75-E79 IonicContact NE-OE2 2.86Å; R75-E79 PolarHBondContact NE-OE2 3.42Å; R75-E79 VanDerWaalsContact NE-OE2 3.1Å; R75-E79 IonicContact NH2-OE1 3.6Å; R75-E79 IonicContact NH2-OE2 3.89Å; R75-E79 PolarHBondContact NH2-OE2 3.29Å; R75-E79 WeakPolarHBondContact O-CA 3.05Å; R75-E79 WeakPolarHBondContact O-CB 3.43Å; R75-E79 PolarHBondContact O-N 2.93Å
76	H	94.8	Very high	93.7	Very high	116 Å²	116	36.6 Å²	36.6	54%	0.537	18%	0.175	S	C	.	.	H	α-helix	trans	-59.8	-47.3	176.9	-166.8	124.9	0	0	0	112.4	N72 K73 T74 K80	N72-H76 WeakPolarHBondContact O-CB 3.36Å; N72-H76 PolarHBondContact O-N 3.14Å; K73-H76 PolarHBondContact O-N 3.49Å; T74-H76 PolarHBondContact O-N 2.66Å; H76-K80 WeakPolarHBondContact O-CB 3.31Å; H76-K80 PolarHBondContact O-N 3.03Å
77	I	96.1	Very high	93.9	Very high	13 Å²	13	37.3 Å²	37.3	7%	0.067	18%	0.177	C	C	.	.	H	α-helix	trans	-66.9	-38.5	-176.7	-70.9	163	0	0	0	112.2	K73 T74 R75 G81 V301 Q302 Y305 R353	K73-I77 WeakPolarHBondContact O-CB 3.29Å; K73-I77 WeakPolarHBondContact O-CD1 3.33Å; K73-I77 VanDerWaalsContact O-CG1 3.27Å; K73-I77 WeakPolarHBondContact O-CG1 3.05Å; K73-I77 PolarHBondContact O-N 2.86Å; T74-I77 PolarHBondContact O-N 3.12Å; R75-I77 PolarHBondContact O-N 3.14Å; I77-G81 WeakPolarHBondContact O-CA 3.46Å; I77-V301 HydrophobicContact CD1-CG1 4.33Å; I77-V301 HydrophobicContact CG2-CG1 4.49Å; I77-Q302 HydrophobicContact CD1-CB 4.18Å; I77-Q302 HydrophobicContact CD1-CG 4.38Å; I77-Y305 HydrophobicContact CD1-CD1 4.13Å; I77-Y305 HydrophobicContact CD1-CG 4.06Å; I77-Y305 HydrophobicContact CG1-CD1 4.17Å; I77-Y305 HydrophobicContact CG1-CG 4.18Å; I77-Y305 HydrophobicContact CG2-CD1 4.49Å; I77-Y305 HydrophobicContact CG2-CD2 3.46Å; I77-Y305 VanDerWaalsContact CG2-CD2 3.46Å; I77-Y305 HydrophobicContact CG2-CE2 3.98Å; I77-Y305 HydrophobicContact CG2-CG 3.75Å; I77-R353 PolarHBondContact O-NH1 2.7Å
78	M	95.5	Very high	94.1	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.005	18%	0.177	C	C	.	.	H	α-helix	trans	-99.4	-39.8	-169.2	-61.1	-61	-67.7	0	0	113.8	T74 R75 G82 L319 Y351 R353	T74-M78 HydrophobicContact CG2-CG 4.14Å; T74-M78 WeakPolarHBondContact O-CB 3.38Å; T74-M78 VanDerWaalsContact O-CG 3.26Å; T74-M78 WeakPolarHBondContact O-CG 3.34Å; T74-M78 PolarHBondContact O-N 3.45Å; R75-M78 PolarHBondContact O-N 3.35Å; M78-G82 CarbonylContact O-C 3.44Å; M78-G82 WeakPolarHBondContact O-CA 3.42Å; M78-G82 PolarHBondContact O-N 3.26Å; M78-G82 VanDerWaalsContact O-N 3.13Å; M78-L319 HydrophobicContact CE-CG 4.2Å; M78-L319 WeakPolarHBondContact CE-O 3.47Å; M78-L319 HydrophobicContact SD-CD2 3.68Å; M78-L319 HydrophobicContact SD-CG 3.98Å; M78-Y351 HydrophobicContact CB-CD1 4.38Å; M78-Y351 HydrophobicContact CB-CG 4.12Å; M78-R353 HydrophobicContact CE-CB 4.21Å; M78-R353 HydrophobicContact SD-CB 4.25Å
79	E	90.1	Very high	94.3	Very high	43 Å²	43	37 Å²	37	20%	0.201	18%	0.176	C	C	.	.	H	α-helix	trans	-74.2	-51.4	177.4	-66.4	174.4	-177.4	0	0	110.7	R75 G81 G82 Y351 G360	R75-E79 HydrophobicContact CB-CG 4.48Å; R75-E79 WeakPolarHBondContact CG-OE1 3.46Å; R75-E79 IonicContact CZ-OE1 2.76Å; R75-E79 IonicContact CZ-OE2 3.47Å; R75-E79 VanDerWaalsContact NE-CD 3.28Å; R75-E79 IonicContact NE-OE1 3.08Å; R75-E79 PolarHBondContact NE-OE1 2.74Å; R75-E79 IonicContact NE-OE2 2.86Å; R75-E79 PolarHBondContact NE-OE2 3.42Å; R75-E79 VanDerWaalsContact NE-OE2 3.1Å; R75-E79 IonicContact NH2-OE1 3.6Å; R75-E79 IonicContact NH2-OE2 3.89Å; R75-E79 PolarHBondContact NH2-OE2 3.29Å; R75-E79 WeakPolarHBondContact O-CA 3.05Å; R75-E79 WeakPolarHBondContact O-CB 3.43Å; R75-E79 PolarHBondContact O-N 2.93Å; E79-G81 VanDerWaalsContact C-N 3.34Å; E79-G82 VanDerWaalsContact O-O 3.12Å; E79-Y351 HydrophobicContact CG-CD1 3.86Å; E79-Y351 HydrophobicContact CG-CE1 3.32Å; E79-Y351 WeakPolarHBondContact OE1-CE1 3.17Å; E79-Y351 PolarHBondContact OE1-OH 2.89Å; E79-G360 WeakPolarHBondContact O-CA 3.48Å; E79-G360 PolarHBondContact O-N 3.14Å
80	K	87.4	Confident	94.6	Very high	138 Å²	138	32 Å²	32	60%	0.6	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-29.6	-179.8	-56.7	-169.8	176.1	-170.4	0	112.7	H76 G360	H76-K80 WeakPolarHBondContact O-CB 3.31Å; H76-K80 PolarHBondContact O-N 3.03Å; K80-G360 PolarHBondContact O-N 2.82Å
81	G	88.5	Confident	94.8	Very high	7 Å²	7	31.8 Å²	31.8	7%	0.072	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.6	4.6	-174.3	0	0	0	0	0	115.7	I77 E79 R353	I77-G81 WeakPolarHBondContact O-CA 3.46Å; E79-G81 VanDerWaalsContact C-N 3.34Å; G81-R353 VanDerWaalsContact O-CD 3.26Å; G81-R353 WeakPolarHBondContact O-CD 3.45Å; G81-R353 VanDerWaalsContact O-CG 3.26Å; G81-R353 WeakPolarHBondContact O-CG 3.3Å; G81-R353 PolarHBondContact O-NE 2.88Å
82	G	92.7	Very high	94.9	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	15%	0.151	C	C	.	.	S	Bend	trans	-163	-161.4	-176.8	0	0	0	0	0	112.1	M78 E79 V352 E358 G360	M78-G82 CarbonylContact O-C 3.44Å; M78-G82 WeakPolarHBondContact O-CA 3.42Å; M78-G82 PolarHBondContact O-N 3.26Å; M78-G82 VanDerWaalsContact O-N 3.13Å; E79-G82 VanDerWaalsContact O-O 3.12Å; G82-V352 CarbonylContact C-O 3.47Å; G82-V352 WeakPolarHBondContact CA-O 3.41Å; G82-E358 CarbonylContact C-O 3.48Å; G82-G360 PolarHBondContact O-N 3.45Å
83	T	94.7	Very high	94.8	Very high	3 Å²	3	26.7 Å²	26.7	2%	0.018	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	128.5	178.9	-60.1	0	0	0	0	110.8	F85 V352 V357 E358 A361 N363	T83-F85 HydrophobicContact CG2-CD2 4.28Å; T83-F85 HydrophobicContact CG2-CE2 3.91Å; T83-F85 HydrophobicContact CG2-CZ 4.34Å; T83-V352 PolarHBondContact N-O 2.87Å; T83-V352 PolarHBondContact O-N 3.03Å; T83-V357 WeakPolarHBondContact OG1-CG1 3.43Å; T83-E358 PolarHBondContact N-O 2.9Å; T83-E358 PolarHBondContact OG1-O 2.98Å; T83-A361 WeakPolarHBondContact CA-O 3.49Å; T83-A361 HydrophobicContact CG2-CB 4.31Å; T83-N363 HydrophobicContact CG2-CB 3.7Å
84	H	95.4	Very high	94.7	Very high	32 Å²	32	24.6 Å²	24.6	15%	0.148	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	136.2	168.3	169.7	-135.6	0	0	0	110.3	Y351 A361 T362 N363	H84-Y351 HydrophobicContact CB-CD1 3.64Å; H84-Y351 HydrophobicContact CB-CE1 3.77Å; H84-Y351 AromaticContact CD2-CD1 3.6Å; H84-Y351 AromaticContact CD2-CE1 3.22Å; H84-Y351 WeakPolarHBondContact CD2-CE1 3.22Å; H84-Y351 AromaticContact CD2-CZ 3.83Å; H84-Y351 AromaticContact CG-CD1 3.88Å; H84-Y351 AromaticContact CG-CE1 3.57Å; H84-A361 PolarHBondContact N-O 2.99Å; H84-T362 CarbonylContact O-C 3.54Å; H84-T362 WeakPolarHBondContact O-CA 3.43Å; H84-N363 PolarHBondContact O-N 3.11Å
85	F	96.3	Very high	94.5	Very high	1 Å²	1	24.6 Å²	24.6	0%	0.004	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	111	170	-72.3	-99.8	0	0	0	110.1	T83 N87 A88 F350 V352 N363 V367 I393 L396 L397	T83-F85 HydrophobicContact CG2-CD2 4.28Å; T83-F85 HydrophobicContact CG2-CE2 3.91Å; T83-F85 HydrophobicContact CG2-CZ 4.34Å; F85-N87 PolarHBondContact O-N 2.77Å; F85-A88 HydrophobicContact CB-CB 4.49Å; F85-F350 HydrophobicContact CB-CB 4.42Å; F85-F350 HydrophobicContact CB-CD1 4.01Å; F85-F350 AromaticContact CD2-CD1 3.64Å; F85-F350 HydrophobicContact CD2-CD1 3.64Å; F85-F350 AromaticContact CD2-CE1 3.92Å; F85-F350 HydrophobicContact CD2-CE1 3.92Å; F85-F350 HydrophobicContact CE2-CD1 4.41Å; F85-F350 HydrophobicContact CE2-CE1 4.26Å; F85-F350 HydrophobicContact CG-CD1 4.05Å; F85-F350 HydrophobicContact CG-CE1 4.49Å; F85-F350 PolarHBondContact N-O 2.64Å; F85-V352 HydrophobicContact CE2-CG2 4.24Å; F85-N363 WeakPolarHBondContact CA-O 3.23Å; F85-N363 HydrophobicContact CD1-CB 3.71Å; F85-N363 HydrophobicContact CE1-CB 3.7Å; F85-N363 VanDerWaalsContact CE1-CG 3.42Å; F85-N363 WeakPolarHBondContact CE1-ND2 3.33Å; F85-N363 HydrophobicContact CG-CB 4.22Å; F85-N363 HydrophobicContact CZ-CB 4.17Å; F85-V367 HydrophobicContact CB-CG2 4.31Å; F85-V367 HydrophobicContact CD1-CB 4.44Å; F85-V367 HydrophobicContact CD1-CG2 3.28Å; F85-V367 HydrophobicContact CE1-CG2 3.63Å; F85-V367 HydrophobicContact CG-CG2 3.85Å; F85-V367 HydrophobicContact CZ-CG2 4.45Å; F85-I393 HydrophobicContact CE2-CD1 4.09Å; F85-I393 HydrophobicContact CZ-CD1 3.97Å; F85-L396 HydrophobicContact CE1-CB 4.23Å; F85-L396 HydrophobicContact CE1-CD1 4.12Å; F85-L396 HydrophobicContact CZ-CB 4.42Å; F85-L397 HydrophobicContact CE2-CD2 3.6Å; F85-L397 HydrophobicContact CE2-CG 4.49Å; F85-L397 HydrophobicContact CZ-CD2 3.71Å; F85-L397 HydrophobicContact CZ-CG 4.21Å
86	S	94.7	Very high	94.4	Very high	27 Å²	27	20.5 Å²	20.5	19%	0.189	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-20.8	-176.6	66.6	0	0	0	0	113.4	R347 N363	S86-R347 PolarHBondContact O-NE 2.99Å; S86-R347 PolarHBondContact O-NH2 3.24Å; S86-N363 PolarHBondContact N-O 2.87Å
87	N	96.2	Very high	94.4	Very high	21 Å²	21	15 Å²	15	11%	0.112	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.9	56.1	-170	-67.4	-13.3	0	0	0	110.2	F85 F89 P364 I366 V367 I783	F85-N87 PolarHBondContact O-N 2.77Å; N87-F89 VanDerWaalsContact C-CE2 3.41Å; N87-F89 HydrophobicContact CB-CE2 4.02Å; N87-F89 WeakPolarHBondContact O-CD2 3.46Å; N87-F89 WeakPolarHBondContact O-CE2 3.32Å; N87-P364 PolarHBondContact ND2-O 3.47Å; N87-I366 WeakPolarHBondContact O-CA 3.29Å; N87-V367 PolarHBondContact O-N 2.89Å; N87-I783 HydrophobicContact CB-CD1 4.24Å
88	A	97.4	Very high	94.5	Very high	1 Å²	1	14.4 Å²	14.4	1%	0.008	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	134.4	178.6	0	0	0	0	0	112.4	F85 R347 V348 F350 V367	F85-A88 HydrophobicContact CB-CB 4.49Å; A88-R347 WeakPolarHBondContact O-CG 3.21Å; A88-V348 HydrophobicContact CB-CG2 4.25Å; A88-V348 PolarHBondContact O-N 2.88Å; A88-F350 HydrophobicContact CB-CB 3.21Å; A88-F350 HydrophobicContact CB-CD2 4.29Å; A88-F350 HydrophobicContact CB-CG 3.89Å; A88-V367 CarbonylContact C-O 3.54Å; A88-V367 VanDerWaalsContact CA-O 3.3Å; A88-V367 WeakPolarHBondContact CA-O 3.11Å; A88-V367 HydrophobicContact CB-CB 4.41Å
89	F	98	Very high	94.6	Very high	1 Å²	1	14.6 Å²	14.6	0%	0.004	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	149.1	-169.6	-57.6	-88.9	0	0	0	113.6	N87 I346 R347 I366 V367 L368 N369 F419 I783	N87-F89 VanDerWaalsContact C-CE2 3.41Å; N87-F89 HydrophobicContact CB-CE2 4.02Å; N87-F89 WeakPolarHBondContact O-CD2 3.46Å; N87-F89 WeakPolarHBondContact O-CE2 3.32Å; F89-I346 CarbonylContact C-O 3.56Å; F89-I346 WeakPolarHBondContact CA-O 3.49Å; F89-I346 HydrophobicContact CD1-CD1 4.02Å; F89-I346 HydrophobicContact CD1-CG1 4.08Å; F89-I346 HydrophobicContact CE1-CD1 4.41Å; F89-R347 HydrophobicContact CD1-CB 3.9Å; F89-R347 HydrophobicContact CD1-CG 3.98Å; F89-R347 HydrophobicContact CE1-CB 3.83Å; F89-R347 HydrophobicContact CE1-CG 3.64Å; F89-R347 HydrophobicContact CZ-CG 4.2Å; F89-I366 HydrophobicContact CD2-CG2 4.21Å; F89-V367 PolarHBondContact N-O 3.22Å; F89-L368 HydrophobicContact CB-CD2 4.03Å; F89-L368 WeakPolarHBondContact O-CA 3.3Å; F89-N369 PolarHBondContact O-N 2.79Å; F89-F419 HydrophobicContact CB-CE2 3.74Å; F89-F419 HydrophobicContact CB-CZ 3.57Å; F89-F419 AromaticContact CD1-CZ 3.91Å; F89-F419 HydrophobicContact CD1-CZ 3.91Å; F89-F419 AromaticContact CD2-CE1 3.76Å; F89-F419 HydrophobicContact CD2-CE1 3.76Å; F89-F419 HydrophobicContact CD2-CE2 4.42Å; F89-F419 AromaticContact CD2-CZ 3.46Å; F89-F419 HydrophobicContact CD2-CZ 3.46Å; F89-F419 VanDerWaalsContact CD2-CZ 3.46Å; F89-F419 HydrophobicContact CE1-CZ 4.46Å; F89-F419 HydrophobicContact CE2-CE1 4.09Å; F89-F419 HydrophobicContact CE2-CZ 4.08Å; F89-F419 HydrophobicContact CG-CE1 4.16Å; F89-F419 HydrophobicContact CG-CE2 4.08Å; F89-F419 AromaticContact CG-CZ 3.36Å; F89-F419 HydrophobicContact CG-CZ 3.36Å; F89-I783 HydrophobicContact CE2-CD1 3.69Å; F89-I783 HydrophobicContact CZ-CD1 3.64Å
90	S	97.6	Very high	94.9	Very high	1 Å²	1	12.6 Å²	12.6	1%	0.007	6%	0.063	C	C	.	.			trans	-88.7	127.6	164.2	-167.6	0	0	0	0	109.8	T92 S98 D324 I346 N369	S90-T92 PolarHBondContact O-N 3.31Å; S90-T92 PolarHBondContact OG-O 2.81Å; S90-T92 VanDerWaalsContact OG-O 3.09Å; S90-S98 PolarHBondContact OG-OG 3.36Å; S90-S98 VanDerWaalsContact OG-OG 3.11Å; S90-D324 WeakPolarHBondContact CB-O 3.45Å; S90-D324 PolarHBondContact OG-O 3.29Å; S90-I346 PolarHBondContact N-O 3.43Å; S90-N369 PolarHBondContact OG-ND2 2.79Å
91	T	96.9	Very high	95.4	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.034	C	C	.	.	S	Bend	trans	-67.5	-10.9	176.1	52.6	0	0	0	0	113.2	Y107 L368 N369 V370 V421 E422	T91-Y107 HydrophobicContact CG2-CD1 3.95Å; T91-Y107 HydrophobicContact CG2-CE1 3.36Å; T91-L368 HydrophobicContact CG2-CB 4.19Å; T91-L368 HydrophobicContact CG2-CD1 4.13Å; T91-L368 HydrophobicContact CG2-CD2 4.38Å; T91-L368 HydrophobicContact CG2-CG 4.46Å; T91-N369 WeakPolarHBondContact CB-OD1 3.31Å; T91-N369 VanDerWaalsContact CG2-OD1 3.24Å; T91-N369 WeakPolarHBondContact CG2-OD1 3.33Å; T91-N369 PolarHBondContact N-OD1 3.35Å; T91-N369 VanDerWaalsContact N-OD1 3.15Å; T91-N369 PolarHBondContact OG1-ND2 3.45Å; T91-N369 PolarHBondContact OG1-OD1 3.08Å; T91-V370 HydrophobicContact CG2-CG1 4.34Å; T91-V370 HydrophobicContact CG2-CG2 4.22Å; T91-V421 WeakPolarHBondContact O-CA 3.33Å; T91-E422 PolarHBondContact O-N 2.99Å
92	T	95.6	Very high	95.8	Very high	1 Å²	1	5.9 Å²	5.9	1%	0.006	3%	0.032	C	C	.	.	S	Bend	trans	-153.9	123.3	175.9	-167.8	0	0	0	0	111.9	S90 M94 P97 S98 V108 E422	S90-T92 PolarHBondContact O-N 3.31Å; S90-T92 PolarHBondContact OG-O 2.81Å; S90-T92 VanDerWaalsContact OG-O 3.09Å; T92-M94 PolarHBondContact O-N 3.05Å; T92-P97 HydrophobicContact CG2-CB 3.5Å; T92-S98 VanDerWaalsContact CG2-N 3.28Å; T92-V108 HydrophobicContact CG2-CG2 3.56Å; T92-E422 VanDerWaalsContact CB-O 3.23Å; T92-E422 WeakPolarHBondContact CB-O 3.5Å; T92-E422 PolarHBondContact OG1-O 3.46Å
93	P	94.9	Very high	96.1	Very high	0 Å²	0	6.3 Å²	6.3	0%	0	3%	0.034	C	C	.	.	S	Bend	trans	-81.2	54.6	-175.1	30.8	-34.4	0	0	0	113	S339 M340 D345 I346 Y777	P93-S339 VanDerWaalsContact O-CA 3.3Å; P93-S339 WeakPolarHBondContact O-CA 3.27Å; P93-S339 PolarHBondContact O-N 3.36Å; P93-M340 WeakPolarHBondContact CG-O 3.44Å; P93-D345 HydrophobicContact CB-CB 3.97Å; P93-D345 WeakPolarHBondContact CB-O 3.3Å; P93-I346 HydrophobicContact CB-CG2 4.26Å; P93-I346 HydrophobicContact CG-CG2 4.21Å; P93-Y777 WeakPolarHBondContact CG-OH 3.27Å
94	M	93.1	Very high	96.2	Very high	25 Å²	25	6.1 Å²	6.1	12%	0.123	3%	0.033	C	C	.	.	S	Bend	trans	-151.2	129.4	-178.7	-71.8	-64.8	-46.2	0	0	111.2	T92 C96 P97 S98 N116 H325 S339 R423	T92-M94 PolarHBondContact O-N 3.05Å; M94-C96 PolarHBondContact O-N 3.42Å; M94-P97 HydrophobicContact CB-CB 4.13Å; M94-P97 HydrophobicContact CB-CG 3.66Å; M94-P97 WeakPolarHBondContact O-CD 3.45Å; M94-S98 WeakPolarHBondContact O-CB 3.33Å; M94-S98 PolarHBondContact O-N 3.42Å; M94-N116 HydrophobicContact CE-CB 4.35Å; M94-H325 PolarHBondContact N-CD2 2.81Å; M94-H325 VanDerWaalsContact N-CD2 3.29Å; M94-S339 WeakPolarHBondContact SD-CB 3.32Å; M94-R423 HydrophobicContact CG-CG 4.35Å
95	C	93.3	Very high	96.3	Very high	0 Å²	0	4.6 Å²	4.6	0%	0	3%	0.026	C	C	.	.	H	α-helix	trans	-54.3	-60.2	-169.1	-37.1	0	0	0	0	114.9	D60 S98 R99 N116 D324 H325 K338	D60-C95 PolarHBondContact OD1-SG 3Å; D60-C95 VanDerWaalsContact OD1-SG 3.4Å; C95-S98 PolarHBondContact O-N 2.91Å; C95-R99 VanDerWaalsContact O-CB 3.22Å; C95-R99 WeakPolarHBondContact O-CB 3.3Å; C95-R99 WeakPolarHBondContact O-CD 3.35Å; C95-R99 WeakPolarHBondContact O-CG 3.36Å; C95-R99 PolarHBondContact O-N 2.94Å; C95-N116 PolarHBondContact N-OD1 3.09Å; C95-D324 VanDerWaalsContact CA-OD2 3.29Å; C95-D324 WeakPolarHBondContact CA-OD2 3.4Å; C95-D324 VanDerWaalsContact CB-OD2 3.32Å; C95-D324 WeakPolarHBondContact CB-OD2 3.46Å; C95-H325 PolarHBondContact N-CD2 3.4Å; C95-H325 VanDerWaalsContact N-CD2 3.35Å; C95-H325 PolarHBondContact N-NE2 3.11Å; C95-H325 PolarHBondContact SG-NE2 3.05Å; C95-K338 PolarHBondContact SG-NZ 2.65Å
96	C	93.6	Very high	96.3	Very high	0 Å²	0	5.2 Å²	5.2	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-70.2	-37.6	-173	-159.8	0	0	0	0	113.5	M94 S100 N116 C120 N153	M94-C96 PolarHBondContact O-N 3.42Å; C96-S100 WeakPolarHBondContact O-CB 3.3Å; C96-S100 PolarHBondContact O-N 3.4Å; C96-S100 PolarHBondContact O-OG 2.8Å; C96-N116 HydrophobicContact CB-CB 4.43Å; C96-N116 PolarHBondContact N-OD1 2.74Å; C96-C120 HydrophobicContact CB-CB 3.87Å; C96-C120 WeakPolarHBondContact CB-SG 3.43Å; C96-C120 VanDerWaalsContact SG-CA 3.54Å; C96-C120 WeakPolarHBondContact SG-CB 3.21Å; C96-C120 CovalentContact SG-SG 2.02Å; C96-C120 PolarHBondContact SG-SG 3.3Å; C96-N153 HydrophobicContact CB-CB 4.35Å
97	P	95.1	Very high	96.4	Very high	0 Å²	0	4 Å²	4	0%	0	2%	0.02	C	C	.	.	H	α-helix	trans	-53	-59.5	164	-28.5	37.2	0	0	0	112.4	T92 M94 R99 S100 S101 V108 H111 T113 N116	T92-P97 HydrophobicContact CG2-CB 3.5Å; M94-P97 HydrophobicContact CB-CB 4.13Å; M94-P97 HydrophobicContact CB-CG 3.66Å; M94-P97 WeakPolarHBondContact O-CD 3.45Å; P97-R99 PolarHBondContact O-N 3.35Å; P97-S100 WeakPolarHBondContact O-CA 3.4Å; P97-S100 VanDerWaalsContact O-CB 3.26Å; P97-S100 WeakPolarHBondContact O-CB 3.33Å; P97-S100 PolarHBondContact O-N 2.79Å; P97-S101 PolarHBondContact O-N 3Å; P97-S101 PolarHBondContact O-OG 3.01Å; P97-S101 VanDerWaalsContact O-OG 3.05Å; P97-V108 HydrophobicContact CB-CG2 4.21Å; P97-H111 PolarHBondContact O-CE1 2.89Å; P97-T113 WeakPolarHBondContact CA-O 3.37Å; P97-T113 WeakPolarHBondContact CB-O 3.36Å; P97-T113 WeakPolarHBondContact CG-O 3.43Å; P97-N116 WeakPolarHBondContact CD-OD1 3.37Å
98	S	97.1	Very high	96.4	Very high	0 Å²	0	3.1 Å²	3.1	0%	0	2%	0.015	C	C	.	.	H	α-helix	trans	-60.6	-43.5	-177	176.2	0	0	0	0	112.8	S90 T92 M94 C95 S100 S101 I102 D324 N369	S90-S98 PolarHBondContact OG-OG 3.36Å; S90-S98 VanDerWaalsContact OG-OG 3.11Å; T92-S98 VanDerWaalsContact CG2-N 3.28Å; M94-S98 WeakPolarHBondContact O-CB 3.33Å; M94-S98 PolarHBondContact O-N 3.42Å; C95-S98 PolarHBondContact O-N 2.91Å; S98-S100 VanDerWaalsContact C-N 3.27Å; S98-S100 PolarHBondContact O-N 3.3Å; S98-S101 CarbonylContact O-C 3.54Å; S98-S101 WeakPolarHBondContact O-CA 3.33Å; S98-S101 VanDerWaalsContact O-CB 3.24Å; S98-S101 WeakPolarHBondContact O-CB 3.37Å; S98-S101 PolarHBondContact O-N 2.75Å; S98-I102 WeakPolarHBondContact O-CG1 3.49Å; S98-I102 PolarHBondContact O-N 3.24Å; S98-D324 WeakPolarHBondContact CB-O 3.28Å; S98-D324 PolarHBondContact OG-O 2.9Å; S98-N369 PolarHBondContact OG-ND2 3.13Å
99	R	97.3	Very high	96.2	Very high	6 Å²	6	4.4 Å²	4.4	2%	0.023	2%	0.021	C	C	.	.	H	α-helix	trans	-64.7	-31.8	177.3	-69.8	165.3	174.1	-78	-12.2	112	T58 D59 C95 P97 L103 K150 L152 S228 D324	T58-R99 PolarHBondContact O-NH2 3.23Å; T58-R99 VanDerWaalsContact O-NH2 3.1Å; D59-R99 IonicContact OD2-CZ 2.77Å; D59-R99 VanDerWaalsContact OD2-CZ 3.27Å; D59-R99 IonicContact OD2-NE 3.1Å; D59-R99 PolarHBondContact OD2-NE 3.21Å; D59-R99 VanDerWaalsContact OD2-NE 3.14Å; D59-R99 IonicContact OD2-NH2 3.32Å; D59-R99 PolarHBondContact OD2-NH2 3.11Å; C95-R99 VanDerWaalsContact O-CB 3.22Å; C95-R99 WeakPolarHBondContact O-CB 3.3Å; C95-R99 WeakPolarHBondContact O-CD 3.35Å; C95-R99 WeakPolarHBondContact O-CG 3.36Å; C95-R99 PolarHBondContact O-N 2.94Å; P97-R99 PolarHBondContact O-N 3.35Å; R99-L103 WeakPolarHBondContact O-CB 3.45Å; R99-L103 WeakPolarHBondContact O-CD1 3.13Å; R99-L103 WeakPolarHBondContact O-CG 3.4Å; R99-L103 PolarHBondContact O-N 3.4Å; R99-K150 PolarHBondContact NH1-O 2.73Å; R99-L152 HydrophobicContact CB-CD2 3.46Å; R99-L152 VanDerWaalsContact CB-CD2 3.46Å; R99-S228 PolarHBondContact NH1-OG 3.13Å; R99-D324 HydrophobicContact CG-CB 3.98Å; R99-D324 IonicContact CZ-OD2 3.6Å; R99-D324 IonicContact NE-OD2 3.12Å; R99-D324 PolarHBondContact NE-OD2 3.24Å; R99-D324 IonicContact NH2-OD2 3.23Å
100	S	96.9	Very high	96	Very high	0 Å²	0	5.4 Å²	5.4	0%	0	3%	0.026	C	C	.	.	H	α-helix	trans	-64.4	-41.7	168.5	-57.5	0	0	0	0	111.2	C96 P97 S98 L103 T104 H111 T113	C96-S100 WeakPolarHBondContact O-CB 3.3Å; C96-S100 PolarHBondContact O-N 3.4Å; C96-S100 PolarHBondContact O-OG 2.8Å; P97-S100 WeakPolarHBondContact O-CA 3.4Å; P97-S100 VanDerWaalsContact O-CB 3.26Å; P97-S100 WeakPolarHBondContact O-CB 3.33Å; P97-S100 PolarHBondContact O-N 2.79Å; S98-S100 VanDerWaalsContact C-N 3.27Å; S98-S100 PolarHBondContact O-N 3.3Å; S100-L103 PolarHBondContact O-N 2.95Å; S100-T104 WeakPolarHBondContact O-CB 3.34Å; S100-T104 WeakPolarHBondContact O-CG2 3.3Å; S100-T104 PolarHBondContact O-N 2.76Å; S100-T104 PolarHBondContact O-OG1 3.02Å; S100-H111 WeakPolarHBondContact CB-CE1 3.41Å; S100-H111 WeakPolarHBondContact CB-ND1 3.22Å; S100-T113 PolarHBondContact OG-OG1 2.96Å
101	S	97.8	Very high	95.8	Very high	0 Å²	0	5.4 Å²	5.4	0%	0	3%	0.026	C	C	.	.	H	α-helix	trans	-63.5	-42.6	176	-41	0	0	0	0	112.4	P97 S98 G105 K106 H111	P97-S101 PolarHBondContact O-N 3Å; P97-S101 PolarHBondContact O-OG 3.01Å; P97-S101 VanDerWaalsContact O-OG 3.05Å; S98-S101 CarbonylContact O-C 3.54Å; S98-S101 WeakPolarHBondContact O-CA 3.33Å; S98-S101 VanDerWaalsContact O-CB 3.24Å; S98-S101 WeakPolarHBondContact O-CB 3.37Å; S98-S101 PolarHBondContact O-N 2.75Å; S101-G105 VanDerWaalsContact O-CA 3.3Å; S101-G105 WeakPolarHBondContact O-CA 3.48Å; S101-G105 PolarHBondContact O-N 3.44Å; S101-K106 VanDerWaalsContact CA-O 3.29Å; S101-K106 WeakPolarHBondContact CA-O 3.35Å; S101-K106 WeakPolarHBondContact CB-O 3.49Å; S101-K106 PolarHBondContact OG-O 3.19Å; S101-H111 PolarHBondContact OG-NE2 2.74Å
102	I	98.3	Very high	95.6	Very high	4 Å²	4	9.5 Å²	9.5	2%	0.021	5%	0.045	C	C	.	.	H	α-helix	trans	-62.2	-43.6	174.3	-64.7	169.1	0	0	0	111.1	L57 S98 F134 D324 N369 L372	L57-I102 HydrophobicContact CD1-CD1 4.06Å; L57-I102 HydrophobicContact CD2-CD1 4.33Å; S98-I102 WeakPolarHBondContact O-CG1 3.49Å; S98-I102 PolarHBondContact O-N 3.24Å; I102-F134 HydrophobicContact CG2-CE1 4.43Å; I102-F134 WeakPolarHBondContact O-CD1 3.43Å; I102-F134 WeakPolarHBondContact O-CE1 3.22Å; I102-D324 HydrophobicContact CD1-CB 4.3Å; I102-N369 HydrophobicContact CD1-CB 4.39Å; I102-N369 HydrophobicContact CG1-CB 3.81Å; I102-L372 HydrophobicContact CG1-CD1 4.14Å; I102-L372 HydrophobicContact CG2-CB 4.44Å; I102-L372 HydrophobicContact CG2-CD1 3.99Å
103	L	97.8	Very high	95.4	Very high	9 Å²	9	9.4 Å²	9.4	5%	0.047	5%	0.045	C	C	.	.	H	α-helix	trans	-70.9	-34.2	-177.4	-74.5	165.9	0	0	0	113.4	R99 S100 W125 T133 F134 Y151 L152	R99-L103 WeakPolarHBondContact O-CB 3.45Å; R99-L103 WeakPolarHBondContact O-CD1 3.13Å; R99-L103 WeakPolarHBondContact O-CG 3.4Å; R99-L103 PolarHBondContact O-N 3.4Å; S100-L103 PolarHBondContact O-N 2.95Å; L103-W125 HydrophobicContact CD1-CH2 3.97Å; L103-W125 HydrophobicContact CD1-CZ2 4.38Å; L103-T133 HydrophobicContact CB-CG2 3.89Å; L103-T133 WeakPolarHBondContact O-CA 3.36Å; L103-T133 VanDerWaalsContact O-CB 3.32Å; L103-T133 WeakPolarHBondContact O-CB 3.44Å; L103-F134 HydrophobicContact CD2-CE1 3.89Å; L103-F134 HydrophobicContact CD2-CZ 4.23Å; L103-F134 WeakPolarHBondContact O-CD1 3.11Å; L103-F134 PolarHBondContact O-N 2.87Å; L103-F134 VanDerWaalsContact O-N 3.09Å; L103-Y151 HydrophobicContact CD1-CD2 4.08Å; L103-Y151 HydrophobicContact CD1-CE2 3.43Å; L103-Y151 VanDerWaalsContact CD1-CE2 3.43Å; L103-Y151 HydrophobicContact CD2-CE2 3.99Å; L103-Y151 HydrophobicContact CG-CE2 4.4Å; L103-L152 HydrophobicContact CD1-CD1 4.43Å; L103-L152 HydrophobicContact CD1-CD2 4.28Å; L103-L152 HydrophobicContact CD1-CG 4.4Å
104	T	97.3	Very high	95.1	Very high	0 Å²	0	11 Å²	11	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-107.9	-14.3	-172.4	60.7	0	0	0	0	114.8	S100 K106 H129 T133	S100-T104 WeakPolarHBondContact O-CB 3.34Å; S100-T104 WeakPolarHBondContact O-CG2 3.3Å; S100-T104 PolarHBondContact O-N 2.76Å; S100-T104 PolarHBondContact O-OG1 3.02Å; T104-K106 VanDerWaalsContact C-N 3.26Å; T104-K106 PolarHBondContact O-N 3.45Å; T104-K106 PolarHBondContact OG1-N 3.36Å; T104-H129 HydrophobicContact CG2-CB 4.12Å; T104-T133 HydrophobicContact CG2-CG2 4.28Å
105	G	97.4	Very high	94.9	Very high	0 Å²	0	11 Å²	11	0%	0	5%	0.052	C	C	.	.	S	Bend	trans	69.4	17.9	-172.8	0	0	0	0	0	114.6	S101 V370 D389 G390	S101-G105 VanDerWaalsContact O-CA 3.3Å; S101-G105 WeakPolarHBondContact O-CA 3.48Å; S101-G105 PolarHBondContact O-N 3.44Å; G105-V370 WeakPolarHBondContact CA-O 3.32Å; G105-D389 PolarHBondContact O-N 2.81Å; G105-G390 PolarHBondContact O-N 3Å; G105-G390 VanDerWaalsContact O-N 3.14Å
106	K	97	Very high	94.6	Very high	14 Å²	14	11.9 Å²	11.9	6%	0.061	6%	0.057	C	C	.	.			trans	-117.1	153.2	-172.8	-66.8	172.3	-175.7	171.5	0	112.9	S101 T104 N110 H111 V370 E387 D389	S101-K106 VanDerWaalsContact CA-O 3.29Å; S101-K106 WeakPolarHBondContact CA-O 3.35Å; S101-K106 WeakPolarHBondContact CB-O 3.49Å; S101-K106 PolarHBondContact OG-O 3.19Å; T104-K106 VanDerWaalsContact C-N 3.26Å; T104-K106 PolarHBondContact O-N 3.45Å; T104-K106 PolarHBondContact OG1-N 3.36Å; K106-N110 HydrophobicContact CB-CB 4.29Å; K106-H111 PolarHBondContact O-CD2 2.9Å; K106-H111 VanDerWaalsContact O-CD2 3.26Å; K106-V370 WeakPolarHBondContact O-CG1 3.36Å; K106-E387 WeakPolarHBondContact CE-O 3.24Å; K106-E387 VanDerWaalsContact CE-OE1 3.32Å; K106-E387 WeakPolarHBondContact CE-OE1 3.35Å; K106-E387 IonicContact NZ-OE1 2.72Å; K106-E387 PolarHBondContact NZ-OE1 2.9Å; K106-E387 IonicContact NZ-OE2 3.57Å; K106-E387 PolarHBondContact NZ-OE2 3.39Å; K106-D389 VanDerWaalsContact CA-OD2 3.25Å; K106-D389 WeakPolarHBondContact CA-OD2 3.39Å
107	Y	96.8	Very high	94	Very high	2 Å²	2	17.6 Å²	17.6	1%	0.008	9%	0.087	C	C	.	.			trans	-72.4	163.1	170.8	-78.8	-83.1	0	0	0	112.7	T91 H109 N110 H111 L368 D389 L420 C842	T91-Y107 HydrophobicContact CG2-CD1 3.95Å; T91-Y107 HydrophobicContact CG2-CE1 3.36Å; Y107-H109 VanDerWaalsContact C-N 3.32Å; Y107-H109 WeakPolarHBondContact CB-CE1 3.33Å; Y107-H109 WeakPolarHBondContact CB-ND1 3.33Å; Y107-H109 AromaticContact CG-CE1 3.8Å; Y107-H109 PolarHBondContact O-N 3.17Å; Y107-N110 WeakPolarHBondContact O-CA 3.41Å; Y107-N110 PolarHBondContact O-N 3.11Å; Y107-H111 PolarHBondContact O-CD2 2.73Å; Y107-H111 PolarHBondContact O-N 3.02Å; Y107-L368 WeakPolarHBondContact OH-CD1 3.39Å; Y107-D389 HydrophobicContact CD2-CB 3.57Å; Y107-D389 HydrophobicContact CE2-CB 4Å; Y107-D389 PolarHBondContact N-OD2 2.96Å; Y107-L420 HydrophobicContact CD1-CB 4.43Å; Y107-L420 HydrophobicContact CD1-CD2 4.18Å; Y107-L420 HydrophobicContact CE1-CB 3.86Å; Y107-L420 HydrophobicContact CE1-CD2 4.43Å; Y107-L420 HydrophobicContact CE1-CG 4.48Å; Y107-C842 HydrophobicContact CE2-CB 4.06Å
108	V	94.8	Very high	93.2	Very high	2 Å²	2	21 Å²	21	1%	0.012	10%	0.104	C	C	.	.	H	α-helix	trans	-64.5	-36	-176.4	-178.6	0	0	0	0	111.8	T92 P97 N110 H112 T113 Y114 E422	T92-V108 HydrophobicContact CG2-CG2 3.56Å; P97-V108 HydrophobicContact CB-CG2 4.21Å; V108-N110 PolarHBondContact O-N 3.27Å; V108-H112 VanDerWaalsContact O-CA 3.3Å; V108-H112 WeakPolarHBondContact O-CA 3.46Å; V108-H112 PolarHBondContact O-N 3.44Å; V108-T113 WeakPolarHBondContact CG1-O 3.27Å; V108-Y114 HydrophobicContact CG1-CD1 3.67Å; V108-Y114 HydrophobicContact CG1-CE1 4.14Å; V108-E422 WeakPolarHBondContact CA-OE1 3.42Å; V108-E422 HydrophobicContact CB-CG 3.97Å; V108-E422 WeakPolarHBondContact CB-OE1 3.33Å; V108-E422 HydrophobicContact CG2-CG 4.27Å; V108-E422 PolarHBondContact N-OE1 3.39Å
109	H	93.8	Very high	92.5	Very high	27 Å²	27	24.1 Å²	24.1	13%	0.125	12%	0.12	C	C	.	.	H	α-helix	trans	-64.7	-17.1	172.8	64.2	-90.3	0	0	0	114	Y107 H112 E422 L833 R834 C836	Y107-H109 VanDerWaalsContact C-N 3.32Å; Y107-H109 WeakPolarHBondContact CB-CE1 3.33Å; Y107-H109 WeakPolarHBondContact CB-ND1 3.33Å; Y107-H109 AromaticContact CG-CE1 3.8Å; Y107-H109 PolarHBondContact O-N 3.17Å; H109-H112 PolarHBondContact O-CE1 3.05Å; H109-H112 PolarHBondContact O-ND1 3.4Å; H109-E422 IonicContact CE1-OE1 3.51Å; H109-E422 IonicContact CG-OE1 2.72Å; H109-E422 PolarHBondContact N-OE1 3.01Å; H109-E422 IonicContact ND1-OE1 3Å; H109-E422 PolarHBondContact ND1-OE1 3.34Å; H109-E422 IonicContact ND1-OE2 3.36Å; H109-L833 PolarHBondContact CE1-O 3.45Å; H109-R834 PolarHBondContact CD2-O 3.03Å; H109-C836 PolarHBondContact NE2-O 2.89Å; H109-C836 VanDerWaalsContact NE2-O 3.13Å
110	N	94.4	Very high	91.9	Very high	22 Å²	22	24.1 Å²	24.1	12%	0.118	12%	0.121	C	C	.	.	H	α-helix	trans	-104	-26.8	-179.6	-72.9	-28.1	0	0	0	114.8	K106 Y107 V108 D389 C836 K837	K106-N110 HydrophobicContact CB-CB 4.29Å; Y107-N110 WeakPolarHBondContact O-CA 3.41Å; Y107-N110 PolarHBondContact O-N 3.11Å; V108-N110 PolarHBondContact O-N 3.27Å; N110-D389 PolarHBondContact ND2-OD1 2.85Å; N110-D389 PolarHBondContact ND2-OD2 3.35Å; N110-C836 PolarHBondContact ND2-O 3Å; N110-K837 VanDerWaalsContact OD1-CE 3.29Å; N110-K837 WeakPolarHBondContact OD1-CE 3.35Å
111	H	93.6	Very high	91.5	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.005	12%	0.123	C	C	.	.	H	α-helix	trans	-104.5	0.2	171	70	70.2	0	0	0	114.4	P97 S100 S101 K106 Y107 T113 H129	P97-H111 PolarHBondContact O-CE1 2.89Å; S100-H111 WeakPolarHBondContact CB-CE1 3.41Å; S100-H111 WeakPolarHBondContact CB-ND1 3.22Å; S101-H111 PolarHBondContact OG-NE2 2.74Å; K106-H111 PolarHBondContact O-CD2 2.9Å; K106-H111 VanDerWaalsContact O-CD2 3.26Å; Y107-H111 PolarHBondContact O-CD2 2.73Å; Y107-H111 PolarHBondContact O-N 3.02Å; H111-T113 VanDerWaalsContact ND1-CB 3.34Å; H111-T113 WeakPolarHBondContact ND1-CB 3.21Å; H111-T113 PolarHBondContact ND1-N 3.07Å; H111-T113 PolarHBondContact ND1-OG1 3.32Å; H111-T113 VanDerWaalsContact ND1-OG1 3.15Å; H111-T113 PolarHBondContact O-N 2.92Å; H111-T113 PolarHBondContact O-OG1 2.9Å; H111-H129 PolarHBondContact O-NE2 3.41Å
112	H	92	Very high	91.2	Very high	86 Å²	86	25.6 Å²	25.6	40%	0.398	13%	0.131	S	C	.	.			trans	53.8	22.3	171.4	-51.5	-43.8	0	0	0	116.5	V108 H109 Y114 N119	V108-H112 VanDerWaalsContact O-CA 3.3Å; V108-H112 WeakPolarHBondContact O-CA 3.46Å; V108-H112 PolarHBondContact O-N 3.44Å; H109-H112 PolarHBondContact O-CE1 3.05Å; H109-H112 PolarHBondContact O-ND1 3.4Å; H112-Y114 HydrophobicContact CB-CE2 3.91Å; H112-Y114 AromaticContact ND1-CZ 3.97Å; H112-Y114 PolarHBondContact ND1-OH 3.2Å; H112-Y114 VanDerWaalsContact O-CD2 3.29Å; H112-Y114 WeakPolarHBondContact O-CD2 3.21Å; H112-Y114 WeakPolarHBondContact O-CE2 3.4Å; H112-Y114 PolarHBondContact O-N 2.75Å; H112-N119 PolarHBondContact O-ND2 2.78Å
113	T	92	Very high	90.8	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.159	C	C	.	.			trans	-91.4	83.7	174.7	-49.7	0	0	0	0	109	P97 S100 V108 H111 C120 W125	P97-T113 WeakPolarHBondContact CA-O 3.37Å; P97-T113 WeakPolarHBondContact CB-O 3.36Å; P97-T113 WeakPolarHBondContact CG-O 3.43Å; S100-T113 PolarHBondContact OG-OG1 2.96Å; V108-T113 WeakPolarHBondContact CG1-O 3.27Å; H111-T113 VanDerWaalsContact ND1-CB 3.34Å; H111-T113 WeakPolarHBondContact ND1-CB 3.21Å; H111-T113 PolarHBondContact ND1-N 3.07Å; H111-T113 PolarHBondContact ND1-OG1 3.32Å; H111-T113 VanDerWaalsContact ND1-OG1 3.15Å; H111-T113 PolarHBondContact O-N 2.92Å; H111-T113 PolarHBondContact O-OG1 2.9Å; T113-C120 HydrophobicContact CG2-CB 4.06Å; T113-W125 PolarHBondContact OG1-NE1 3.24Å
114	Y	88.9	Confident	90.5	Very high	34 Å²	34	32.6 Å²	32.6	13%	0.133	18%	0.179	C	C	.	.			trans	-81.2	-22	-170.1	-58.4	-68.5	0	0	0	115.1	V108 H112 G424 K425	V108-Y114 HydrophobicContact CG1-CD1 3.67Å; V108-Y114 HydrophobicContact CG1-CE1 4.14Å; H112-Y114 HydrophobicContact CB-CE2 3.91Å; H112-Y114 AromaticContact ND1-CZ 3.97Å; H112-Y114 PolarHBondContact ND1-OH 3.2Å; H112-Y114 VanDerWaalsContact O-CD2 3.29Å; H112-Y114 WeakPolarHBondContact O-CD2 3.21Å; H112-Y114 WeakPolarHBondContact O-CE2 3.4Å; H112-Y114 PolarHBondContact O-N 2.75Å; Y114-G424 WeakPolarHBondContact CB-O 3.31Å; Y114-G424 WeakPolarHBondContact CD1-O 3.36Å; Y114-K425 HydrophobicContact CD2-CG 4.4Å; Y114-K425 HydrophobicContact CG-CG 4.25Å
115	T	87.7	Confident	90.3	Very high	23 Å²	23	32.8 Å²	32.8	14%	0.141	18%	0.18	C	C	.	.	B	Isolated β-bridge	trans	-149.8	166.1	179.9	77.7	0	0	0	0	112.2	N117 E118	T115-N117 PolarHBondContact O-N 2.82Å; T115-N117 PolarHBondContact OG1-N 3.27Å; T115-E118 PolarHBondContact O-N 2.82Å; T115-E118 WeakPolarHBondContact OG1-CB 3.25Å; T115-E118 PolarHBondContact OG1-N 2.76Å
116	N	86.3	Confident	90.1	Very high	20 Å²	20	35.2 Å²	35.2	11%	0.107	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-10.9	174.9	-70	6.7	0	0	0	115.2	M94 C95 C96 P97 C120 N153	M94-N116 HydrophobicContact CE-CB 4.35Å; C95-N116 PolarHBondContact N-OD1 3.09Å; C96-N116 HydrophobicContact CB-CB 4.43Å; C96-N116 PolarHBondContact N-OD1 2.74Å; P97-N116 WeakPolarHBondContact CD-OD1 3.37Å; N116-C120 PolarHBondContact O-SG 3.38Å; N116-N153 HydrophobicContact CB-CB 4.27Å
117	N	82.5	Confident	89.9	Confident	119 Å²	119	39.4 Å²	39.4	64%	0.636	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-119.6	-3.5	-179	-48.8	-90.9	0	0	0	113.4	T115	T115-N117 PolarHBondContact O-N 2.82Å; T115-N117 PolarHBondContact OG1-N 3.27Å
118	E	77.3	Confident	89.7	Confident	73 Å²	73	44.5 Å²	44.5	34%	0.341	24%	0.242	S	C	.	.	B	Isolated β-bridge	trans	-129.4	122	-169.9	-169.7	165.3	155.9	0	0	111	T115 C120 K425	T115-E118 PolarHBondContact O-N 2.82Å; T115-E118 WeakPolarHBondContact OG1-CB 3.25Å; T115-E118 PolarHBondContact OG1-N 2.76Å; E118-C120 PolarHBondContact O-N 3.1Å; E118-K425 WeakPolarHBondContact OE1-CE 3.44Å; E118-K425 IonicContact OE1-NZ 3.58Å; E118-K425 PolarHBondContact OE1-NZ 2.8Å; E118-K425 VanDerWaalsContact OE2-CE 3.24Å; E118-K425 WeakPolarHBondContact OE2-CE 3.36Å; E118-K425 IonicContact OE2-NZ 2.74Å; E118-K425 PolarHBondContact OE2-NZ 2.86Å
119	N	81.9	Confident	89.7	Confident	64 Å²	64	45.7 Å²	45.7	34%	0.342	25%	0.247	S	C	.	.	B	Isolated β-bridge	trans	58.8	-22.5	-167	-59.9	-18.4	0	0	0	115.6	H112 S121 S122 W125	H112-N119 PolarHBondContact O-ND2 2.78Å; N119-S121 PolarHBondContact O-N 3.11Å; N119-S122 WeakPolarHBondContact CA-OG 3.3Å; N119-S122 WeakPolarHBondContact O-CB 3.42Å; N119-S122 PolarHBondContact O-N 3.34Å; N119-S122 PolarHBondContact O-OG 2.81Å; N119-W125 VanDerWaalsContact O-CB 3.29Å; N119-W125 WeakPolarHBondContact O-CB 3.29Å
120	C	86.4	Confident	89.8	Confident	6 Å²	6	44.7 Å²	44.7	4%	0.041	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-43.5	119.6	167.8	-178.1	0	0	0	0	111.8	C96 T113 N116 E118 S122	C96-C120 HydrophobicContact CB-CB 3.87Å; C96-C120 WeakPolarHBondContact CB-SG 3.43Å; C96-C120 VanDerWaalsContact SG-CA 3.54Å; C96-C120 WeakPolarHBondContact SG-CB 3.21Å; C96-C120 CovalentContact SG-SG 2.02Å; C96-C120 PolarHBondContact SG-SG 3.3Å; T113-C120 HydrophobicContact CG2-CB 4.06Å; N116-C120 PolarHBondContact O-SG 3.38Å; E118-C120 PolarHBondContact O-N 3.1Å; C120-S122 PolarHBondContact O-N 2.99Å
121	S	88.4	Confident	89.8	Confident	7 Å²	7	46 Å²	46	5%	0.049	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	50.8	17.4	-177.6	-53.2	0	0	0	0	115.6	N119 Q126 L152 Y155	N119-S121 PolarHBondContact O-N 3.11Å; S121-Q126 PolarHBondContact O-NE2 2.93Å; S121-L152 WeakPolarHBondContact OG-CB 3.39Å; S121-Y155 PolarHBondContact OG-N 3.28Å
122	S	90.2	Very high	89.9	Confident	24 Å²	24	49.7 Å²	49.7	17%	0.168	27%	0.269	C	S	.	.			trans	-73.3	157.7	-175.9	69.8	0	0	0	0	111.7	N119 C120 S124 W125 Q126	N119-S122 WeakPolarHBondContact CA-OG 3.3Å; N119-S122 WeakPolarHBondContact O-CB 3.42Å; N119-S122 PolarHBondContact O-N 3.34Å; N119-S122 PolarHBondContact O-OG 2.81Å; C120-S122 PolarHBondContact O-N 2.99Å; S122-S124 PolarHBondContact O-N 3.07Å; S122-S124 VanDerWaalsContact O-N 3.09Å; S122-W125 WeakPolarHBondContact O-CA 3.35Å; S122-W125 PolarHBondContact O-N 3.33Å; S122-W125 PolarHBondContact OG-N 3.35Å; S122-Q126 WeakPolarHBondContact O-CG 3.44Å; S122-Q126 PolarHBondContact O-N 3.02Å
123	P	90.4	Very high	90.1	Very high	94 Å²	94	45.7 Å²	45.7	61%	0.61	25%	0.25	S	S	*	.	H	α-helix	trans	-55.6	-28.1	173.9	-27.8	36.2	0	0	0	114	V127	P123-V127 VanDerWaalsContact O-CG2 3.31Å; P123-V127 WeakPolarHBondContact O-CG2 3.44Å; P123-V127 PolarHBondContact O-N 3.36Å; P123-V127 VanDerWaalsContact O-N 3.11Å
124	S	90.6	Very high	90.4	Very high	67 Å²	67	45.8 Å²	45.8	47%	0.469	25%	0.251	S	S	.	.	H	α-helix	trans	-67.8	-45.1	173.2	-156.3	0	0	0	0	111.2	S122 V127 H128	S122-S124 PolarHBondContact O-N 3.07Å; S122-S124 VanDerWaalsContact O-N 3.09Å; S124-V127 PolarHBondContact O-N 3.03Å; S124-H128 VanDerWaalsContact O-CB 3.31Å; S124-H128 WeakPolarHBondContact O-CB 3.5Å; S124-H128 PolarHBondContact O-N 3.03Å; S124-H128 PolarHBondContact O-ND1 3.06Å
125	W	93.1	Very high	90.8	Very high	3 Å²	3	44.1 Å²	44.1	1%	0.011	24%	0.244	C	C	.	.	H	α-helix	trans	-68.4	-37.9	178.8	-168.9	92	0	0	0	111.9	L103 T113 N119 S122 V127 H129 E130 Y151 L152	L103-W125 HydrophobicContact CD1-CH2 3.97Å; L103-W125 HydrophobicContact CD1-CZ2 4.38Å; T113-W125 PolarHBondContact OG1-NE1 3.24Å; N119-W125 VanDerWaalsContact O-CB 3.29Å; N119-W125 WeakPolarHBondContact O-CB 3.29Å; S122-W125 WeakPolarHBondContact O-CA 3.35Å; S122-W125 PolarHBondContact O-N 3.33Å; S122-W125 PolarHBondContact OG-N 3.35Å; W125-V127 PolarHBondContact O-N 3.49Å; W125-H129 AromaticContact CD1-CD2 3.37Å; W125-H129 AromaticContact CD1-CG 3.92Å; W125-H129 HydrophobicContact CD2-CB 4.15Å; W125-H129 HydrophobicContact CG-CB 4.14Å; W125-H129 HydrophobicContact CZ2-CB 4.29Å; W125-H129 AromaticContact NE1-CD2 3.82Å; W125-H129 AromaticContact NE1-CG 3.94Å; W125-H129 WeakPolarHBondContact O-CA 3.43Å; W125-H129 WeakPolarHBondContact O-CB 3.32Å; W125-H129 PolarHBondContact O-N 2.94Å; W125-E130 HydrophobicContact CE3-CG 3.63Å; W125-E130 HydrophobicContact CH2-CG 3.86Å; W125-E130 HydrophobicContact CZ3-CG 3.17Å; W125-E130 WeakPolarHBondContact CZ3-OE1 3.22Å; W125-E130 PolarHBondContact O-N 3.14Å; W125-Y151 WeakPolarHBondContact CH2-OH 3.49Å; W125-Y151 HydrophobicContact CZ3-CE1 4.12Å; W125-L152 HydrophobicContact CD2-CD1 4.39Å; W125-L152 HydrophobicContact CE3-CD1 3.91Å; W125-L152 HydrophobicContact CH2-CD1 3.39Å; W125-L152 HydrophobicContact CZ2-CD1 3.88Å; W125-L152 HydrophobicContact CZ3-CD1 3.35Å
126	Q	94.2	Very high	91.3	Very high	52 Å²	52	43.8 Å²	43.8	24%	0.243	24%	0.242	C	C	.	.	H	α-helix	trans	-58.4	-44.1	171.4	-68.1	169.4	12.6	0	0	112.5	S121 S122 P131 Y159	S121-Q126 PolarHBondContact O-NE2 2.93Å; S122-Q126 WeakPolarHBondContact O-CG 3.44Å; S122-Q126 PolarHBondContact O-N 3.02Å; Q126-P131 WeakPolarHBondContact O-CD 3.18Å; Q126-Y159 HydrophobicContact CG-CE2 4.41Å; Q126-Y159 WeakPolarHBondContact CG-OH 3.29Å; Q126-Y159 PolarHBondContact NE2-OH 3.39Å
127	V	93	Very high	91.8	Very high	102 Å²	102	45 Å²	45	62%	0.618	25%	0.247	S	C	*	.	H	α-helix	trans	-78	-36.1	-179.5	172.9	0	0	0	0	112.6	P123 S124 W125	P123-V127 VanDerWaalsContact O-CG2 3.31Å; P123-V127 WeakPolarHBondContact O-CG2 3.44Å; P123-V127 PolarHBondContact O-N 3.36Å; P123-V127 VanDerWaalsContact O-N 3.11Å; S124-V127 PolarHBondContact O-N 3.03Å; W125-V127 PolarHBondContact O-N 3.49Å
128	H	92.8	Very high	92.5	Very high	109 Å²	109	39.3 Å²	39.3	51%	0.505	22%	0.217	S	C	.	.	H	α-helix	trans	-98.3	-29.3	-169.2	-64.1	49.4	0	0	0	113.9	S124 H132	S124-H128 VanDerWaalsContact O-CB 3.31Å; S124-H128 WeakPolarHBondContact O-CB 3.5Å; S124-H128 PolarHBondContact O-N 3.03Å; S124-H128 PolarHBondContact O-ND1 3.06Å; H128-H132 PolarHBondContact O-ND1 3.49Å
129	H	95	Very high	93.4	Very high	27 Å²	27	37.2 Å²	37.2	13%	0.125	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.4	-38.7	-169.4	-63.5	-55.5	0	0	0	114.1	T104 H111 W125 P131 H132 T133	T104-H129 HydrophobicContact CG2-CB 4.12Å; H111-H129 PolarHBondContact O-NE2 3.41Å; W125-H129 AromaticContact CD1-CD2 3.37Å; W125-H129 AromaticContact CD1-CG 3.92Å; W125-H129 HydrophobicContact CD2-CB 4.15Å; W125-H129 HydrophobicContact CG-CB 4.14Å; W125-H129 HydrophobicContact CZ2-CB 4.29Å; W125-H129 AromaticContact NE1-CD2 3.82Å; W125-H129 AromaticContact NE1-CG 3.94Å; W125-H129 WeakPolarHBondContact O-CA 3.43Å; W125-H129 WeakPolarHBondContact O-CB 3.32Å; W125-H129 PolarHBondContact O-N 2.94Å; H129-P131 VanDerWaalsContact C-CD 3.48Å; H129-H132 CarbonylContact O-C 3.52Å; H129-H132 PolarHBondContact O-N 2.88Å; H129-T133 WeakPolarHBondContact O-CG2 3.47Å; H129-T133 PolarHBondContact O-N 3.41Å
130	E	94.6	Very high	94.1	Very high	5 Å²	5	39.7 Å²	39.7	2%	0.023	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-54.8	-42.7	177	-69.1	-176.8	164	0	0	114.2	W125 H132 T133 V136 Y159 P162	W125-E130 HydrophobicContact CE3-CG 3.63Å; W125-E130 HydrophobicContact CH2-CG 3.86Å; W125-E130 HydrophobicContact CZ3-CG 3.17Å; W125-E130 WeakPolarHBondContact CZ3-OE1 3.22Å; W125-E130 PolarHBondContact O-N 3.14Å; E130-H132 PolarHBondContact O-N 2.87Å; E130-H132 VanDerWaalsContact O-N 3.17Å; E130-T133 WeakPolarHBondContact O-CG2 3.38Å; E130-T133 PolarHBondContact O-N 2.64Å; E130-T133 PolarHBondContact O-OG1 2.81Å; E130-V136 WeakPolarHBondContact O-CG2 3.19Å; E130-Y159 PolarHBondContact OE1-OH 2.72Å; E130-Y159 VanDerWaalsContact OE2-CE2 3.32Å; E130-Y159 WeakPolarHBondContact OE2-CE2 3.45Å; E130-P162 HydrophobicContact CB-CG 3.85Å
131	P	95.8	Very high	94.5	Very high	49 Å²	49	41 Å²	41	32%	0.318	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-64.4	-18.3	178	-22.9	35.7	0	0	0	114.4	Q126 H129 V136	Q126-P131 WeakPolarHBondContact O-CD 3.18Å; H129-P131 VanDerWaalsContact C-CD 3.48Å; P131-V136 WeakPolarHBondContact O-CB 3.37Å; P131-V136 WeakPolarHBondContact O-CG1 3.4Å
132	H	94.9	Very high	94.7	Very high	80 Å²	80	42 Å²	42	37%	0.37	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-109.9	22.5	-175.8	-53.2	112.2	0	0	0	111.8	H128 H129 E130	H128-H132 PolarHBondContact O-ND1 3.49Å; H129-H132 CarbonylContact O-C 3.52Å; H129-H132 PolarHBondContact O-N 2.88Å; E130-H132 PolarHBondContact O-N 2.87Å; E130-H132 VanDerWaalsContact O-N 3.17Å
133	T	97.1	Very high	95	Very high	1 Å²	1	41 Å²	41	1%	0.006	23%	0.234	C	C	.	.	S	Bend	trans	-86.1	153.6	175.5	57.8	0	0	0	0	112	L103 T104 H129 E130 A135 V136 H137	L103-T133 HydrophobicContact CB-CG2 3.89Å; L103-T133 WeakPolarHBondContact O-CA 3.36Å; L103-T133 VanDerWaalsContact O-CB 3.32Å; L103-T133 WeakPolarHBondContact O-CB 3.44Å; T104-T133 HydrophobicContact CG2-CG2 4.28Å; H129-T133 WeakPolarHBondContact O-CG2 3.47Å; H129-T133 PolarHBondContact O-N 3.41Å; E130-T133 WeakPolarHBondContact O-CG2 3.38Å; E130-T133 PolarHBondContact O-N 2.64Å; E130-T133 PolarHBondContact O-OG1 2.81Å; T133-A135 PolarHBondContact O-N 2.69Å; T133-V136 PolarHBondContact O-N 2.91Å; T133-H137 PolarHBondContact O-CD2 3.39Å; T133-H137 VanDerWaalsContact O-CD2 3.24Å; T133-H137 PolarHBondContact O-N 2.7Å
134	F	97.4	Very high	95.3	Very high	2 Å²	2	38.9 Å²	38.9	1%	0.009	21%	0.214	C	C	.	.	H	α-helix	trans	-52.8	-31.7	179	68.3	-103.9	0	0	0	112.9	I102 L103 H137 L138 W164 L224 V226 A373 M376	I102-F134 HydrophobicContact CG2-CE1 4.43Å; I102-F134 WeakPolarHBondContact O-CD1 3.43Å; I102-F134 WeakPolarHBondContact O-CE1 3.22Å; L103-F134 HydrophobicContact CD2-CE1 3.89Å; L103-F134 HydrophobicContact CD2-CZ 4.23Å; L103-F134 WeakPolarHBondContact O-CD1 3.11Å; L103-F134 PolarHBondContact O-N 2.87Å; L103-F134 VanDerWaalsContact O-N 3.09Å; F134-H137 PolarHBondContact O-N 3.23Å; F134-L138 HydrophobicContact CD2-CD1 4.27Å; F134-L138 WeakPolarHBondContact O-CB 3.38Å; F134-L138 VanDerWaalsContact O-CG 3.3Å; F134-L138 WeakPolarHBondContact O-CG 3.2Å; F134-L138 PolarHBondContact O-N 2.9Å; F134-W164 HydrophobicContact CE2-CH2 4.15Å; F134-W164 HydrophobicContact CZ-CH2 4.46Å; F134-L224 HydrophobicContact CD2-CD2 4.26Å; F134-L224 HydrophobicContact CE2-CD2 4.18Å; F134-V226 HydrophobicContact CE2-CG2 4.18Å; F134-V226 HydrophobicContact CZ-CG2 4.11Å; F134-A373 HydrophobicContact CB-CB 4.03Å; F134-A373 HydrophobicContact CD1-CB 4.08Å; F134-A373 HydrophobicContact CG-CB 4.5Å; F134-M376 HydrophobicContact CD1-CE 3.65Å; F134-M376 HydrophobicContact CD2-CE 3.64Å; F134-M376 HydrophobicContact CD2-SD 4.29Å; F134-M376 HydrophobicContact CE1-CE 3.59Å; F134-M376 HydrophobicContact CE2-CE 3.61Å; F134-M376 HydrophobicContact CE2-SD 4.13Å; F134-M376 HydrophobicContact CG-CE 3.69Å; F134-M376 HydrophobicContact CZ-CE 3.59Å; F134-M376 HydrophobicContact CZ-SD 4.49Å
135	A	97.3	Very high	95.7	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-64.5	-40	178.5	0	0	0	0	0	112.9	T133 N139 W164	T133-A135 PolarHBondContact O-N 2.69Å; A135-N139 WeakPolarHBondContact O-CB 3.31Å; A135-N139 PolarHBondContact O-N 3.47Å; A135-W164 HydrophobicContact CB-CD2 4.02Å; A135-W164 VanDerWaalsContact CB-CE2 3.46Å; A135-W164 HydrophobicContact CB-CE3 4.26Å; A135-W164 HydrophobicContact CB-CH2 3.54Å; A135-W164 HydrophobicContact CB-CZ2 3.24Å; A135-W164 HydrophobicContact CB-CZ3 4.04Å
136	V	97.5	Very high	95.9	Very high	15 Å²	15	35.6 Å²	35.6	9%	0.091	19%	0.191	C	C	.	.	H	α-helix	trans	-66.6	-47.8	176.4	179.6	0	0	0	0	110.4	E130 P131 T133 L138 N139 N140 P162	E130-V136 WeakPolarHBondContact O-CG2 3.19Å; P131-V136 WeakPolarHBondContact O-CB 3.37Å; P131-V136 WeakPolarHBondContact O-CG1 3.4Å; T133-V136 PolarHBondContact O-N 2.91Å; V136-L138 VanDerWaalsContact C-N 3.35Å; V136-L138 PolarHBondContact O-N 3.48Å; V136-N139 PolarHBondContact O-N 3.12Å; V136-N140 VanDerWaalsContact O-CB 3.31Å; V136-N140 WeakPolarHBondContact O-CB 3.31Å; V136-N140 PolarHBondContact O-N 2.73Å; V136-N140 PolarHBondContact O-OD1 3.22Å; V136-P162 HydrophobicContact CG2-CB 3.9Å; V136-P162 HydrophobicContact CG2-CG 4.1Å; V136-P162 WeakPolarHBondContact CG2-O 3.39Å
137	H	97.1	Very high	96.1	Very high	45 Å²	45	33.4 Å²	33.4	21%	0.208	18%	0.181	C	C	.	.	H	α-helix	trans	-58.1	-44.9	177	-66.8	-73.1	0	0	0	112	T133 F134 N140 S141 L377	T133-H137 PolarHBondContact O-CD2 3.39Å; T133-H137 VanDerWaalsContact O-CD2 3.24Å; T133-H137 PolarHBondContact O-N 2.7Å; F134-H137 PolarHBondContact O-N 3.23Å; H137-N140 PolarHBondContact O-N 2.96Å; H137-S141 PolarHBondContact O-N 3.47Å; H137-L377 HydrophobicContact CB-CD1 4.5Å; H137-L377 HydrophobicContact CB-CD2 3.63Å
138	L	96.8	Very high	96.4	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-69.7	-43.9	178.6	-69.4	175.1	0	0	0	112.8	F134 V136 N140 S141 G142 Y143 L224 M376 L377 A380 V382	F134-L138 HydrophobicContact CD2-CD1 4.27Å; F134-L138 WeakPolarHBondContact O-CB 3.38Å; F134-L138 VanDerWaalsContact O-CG 3.3Å; F134-L138 WeakPolarHBondContact O-CG 3.2Å; F134-L138 PolarHBondContact O-N 2.9Å; V136-L138 VanDerWaalsContact C-N 3.35Å; V136-L138 PolarHBondContact O-N 3.48Å; L138-N140 VanDerWaalsContact C-N 3.3Å; L138-N140 PolarHBondContact O-N 2.99Å; L138-S141 PolarHBondContact O-N 3.36Å; L138-S141 PolarHBondContact O-OG 2.71Å; L138-G142 PolarHBondContact O-N 3.26Å; L138-Y143 HydrophobicContact CB-CG 4.34Å; L138-Y143 HydrophobicContact CD2-CD2 4.26Å; L138-Y143 HydrophobicContact CD2-CE2 4.29Å; L138-Y143 WeakPolarHBondContact O-CB 3.34Å; L138-Y143 PolarHBondContact O-N 2.86Å; L138-Y143 VanDerWaalsContact O-N 3.11Å; L138-L224 HydrophobicContact CB-CD2 4.04Å; L138-L224 HydrophobicContact CD1-CD1 3.9Å; L138-L224 HydrophobicContact CD1-CD2 3.6Å; L138-L224 HydrophobicContact CD1-CG 4.25Å; L138-L224 HydrophobicContact CG-CD2 4.46Å; L138-M376 HydrophobicContact CD1-CB 4.24Å; L138-L377 HydrophobicContact CD2-CD2 3.93Å; L138-L377 HydrophobicContact CG-CD2 3.87Å; L138-A380 HydrophobicContact CD2-CB 3.25Å; L138-V382 HydrophobicContact CD2-CG2 4.23Å
139	N	96.9	Very high	96.6	Very high	29 Å²	29	23.3 Å²	23.3	16%	0.155	13%	0.127	C	C	.	.	H	α-helix	trans	-55.1	-45.7	172.2	165.3	88.4	0	0	0	111.4	A135 V136 S141 G142 T145 G163 K165	A135-N139 WeakPolarHBondContact O-CB 3.31Å; A135-N139 PolarHBondContact O-N 3.47Å; V136-N139 PolarHBondContact O-N 3.12Å; N139-S141 VanDerWaalsContact C-N 3.3Å; N139-S141 PolarHBondContact O-N 3.39Å; N139-G142 PolarHBondContact O-N 3.38Å; N139-T145 HydrophobicContact CB-CG2 3.82Å; N139-G163 WeakPolarHBondContact CB-O 3.49Å; N139-K165 WeakPolarHBondContact OD1-CE 3.5Å; N139-K165 PolarHBondContact OD1-NZ 3.29Å
140	N	96.2	Very high	96.6	Very high	117 Å²	117	22.1 Å²	22.1	63%	0.626	12%	0.122	S	C	*	.	H	α-helix	trans	-68.4	-30.6	-179.2	-65.6	0.5	0	0	0	111.8	V136 H137 L138 G142	V136-N140 VanDerWaalsContact O-CB 3.31Å; V136-N140 WeakPolarHBondContact O-CB 3.31Å; V136-N140 PolarHBondContact O-N 2.73Å; V136-N140 PolarHBondContact O-OD1 3.22Å; H137-N140 PolarHBondContact O-N 2.96Å; L138-N140 VanDerWaalsContact C-N 3.3Å; L138-N140 PolarHBondContact O-N 2.99Å; N140-G142 PolarHBondContact O-N 3.06Å
141	S	94.5	Very high	96.7	Very high	32 Å²	32	22 Å²	22	22%	0.224	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-7.4	171.8	81.6	0	0	0	0	114.5	R50 H137 L138 N139 Y143 V382	R50-S141 PolarHBondContact NH1-O 3.06Å; H137-S141 PolarHBondContact O-N 3.47Å; L138-S141 PolarHBondContact O-N 3.36Å; L138-S141 PolarHBondContact O-OG 2.71Å; N139-S141 VanDerWaalsContact C-N 3.3Å; N139-S141 PolarHBondContact O-N 3.39Å; S141-Y143 WeakPolarHBondContact OG-CD2 3.4Å; S141-V382 VanDerWaalsContact CB-CG2 3.47Å
142	G	93.5	Very high	96.6	Very high	28 Å²	28	19.7 Å²	19.7	29%	0.289	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	108.8	3.1	174.9	0	0	0	0	0	116.4	L138 N139 N140	L138-G142 PolarHBondContact O-N 3.26Å; N139-G142 PolarHBondContact O-N 3.38Å; N140-G142 PolarHBondContact O-N 3.06Å
143	Y	96.6	Very high	96.3	Very high	4 Å²	4	16.6 Å²	16.6	2%	0.016	9%	0.092	C	C	.	.			trans	-64	147.3	175.8	-84.9	-113.7	0	0	0	111.9	P51 I53 L138 S141 T145 P222 L224 A380	P51-Y143 WeakPolarHBondContact O-CE1 3.47Å; P51-Y143 PolarHBondContact O-OH 3.45Å; I53-Y143 HydrophobicContact CD1-CE1 4.35Å; I53-Y143 HydrophobicContact CG1-CE1 4.37Å; L138-Y143 HydrophobicContact CB-CG 4.34Å; L138-Y143 HydrophobicContact CD2-CD2 4.26Å; L138-Y143 HydrophobicContact CD2-CE2 4.29Å; L138-Y143 WeakPolarHBondContact O-CB 3.34Å; L138-Y143 PolarHBondContact O-N 2.86Å; L138-Y143 VanDerWaalsContact O-N 3.11Å; S141-Y143 WeakPolarHBondContact OG-CD2 3.4Å; Y143-T145 PolarHBondContact O-N 2.95Å; Y143-P222 HydrophobicContact CD1-CB 3.88Å; Y143-P222 HydrophobicContact CD1-CG 3.87Å; Y143-P222 HydrophobicContact CD2-CG 3.71Å; Y143-P222 HydrophobicContact CE1-CB 3.5Å; Y143-P222 HydrophobicContact CE1-CG 3.77Å; Y143-P222 HydrophobicContact CE2-CB 4.18Å; Y143-P222 HydrophobicContact CE2-CG 3.58Å; Y143-P222 HydrophobicContact CG-CB 4.37Å; Y143-P222 HydrophobicContact CG-CG 3.84Å; Y143-L224 HydrophobicContact CD1-CB 3.96Å; Y143-A380 HydrophobicContact CE2-CB 3.57Å; Y143-A380 WeakPolarHBondContact OH-CA 3.03Å; Y143-A380 WeakPolarHBondContact OH-CB 3.12Å
144	R	97.1	Very high	95.8	Very high	50 Å²	50	21 Å²	21	19%	0.189	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	101.7	165.1	-73.9	-171.9	54.4	81.7	11.4	108.9	Y210 S214 Y218 R221 P222 V223 L224	R144-Y210 PolarHBondContact NH2-OH 2.89Å; R144-S214 VanDerWaalsContact CD-OG 3.29Å; R144-S214 WeakPolarHBondContact CD-OG 3.48Å; R144-S214 PolarHBondContact NE-OG 3.11Å; R144-Y218 VanDerWaalsContact CD-CD2 3.48Å; R144-R221 HydrophobicContact CG-CB 4.33Å; R144-P222 PolarHBondContact N-O 2.9Å; R144-V223 WeakPolarHBondContact O-CA 3.38Å; R144-L224 PolarHBondContact O-N 3.15Å
145	T	97.9	Very high	95.6	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	136.2	-171.3	56.6	0	0	0	0	112.3	N139 Y143 G163 W164 K165 E166 L224	N139-T145 HydrophobicContact CB-CG2 3.82Å; Y143-T145 PolarHBondContact O-N 2.95Å; T145-G163 VanDerWaalsContact CB-O 3.22Å; T145-G163 WeakPolarHBondContact CB-O 3.49Å; T145-G163 PolarHBondContact OG1-O 2.82Å; T145-W164 WeakPolarHBondContact OG1-CA 3.4Å; T145-K165 WeakPolarHBondContact O-CA 3.33Å; T145-K165 WeakPolarHBondContact O-CB 3.43Å; T145-K165 PolarHBondContact O-N 2.87Å; T145-K165 PolarHBondContact OG1-N 3.25Å; T145-E166 PolarHBondContact O-N 3.48Å; T145-L224 CarbonylContact C-O 3.6Å; T145-L224 WeakPolarHBondContact CA-O 3.15Å; T145-L224 HydrophobicContact CG2-CB 4.09Å; T145-L224 HydrophobicContact CG2-CD2 3.73Å; T145-L224 HydrophobicContact CG2-CG 4.48Å
146	A	98.1	Very high	95.2	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	145.9	176.1	0	0	0	0	0	113.7	F148 W164 E166 Y210 L224 M225 V226	A146-F148 HydrophobicContact CB-CE2 3.56Å; A146-F148 HydrophobicContact CB-CZ 3.8Å; A146-W164 WeakPolarHBondContact O-CZ3 3.26Å; A146-E166 VanDerWaalsContact CA-O 3.26Å; A146-E166 WeakPolarHBondContact CA-O 3.35Å; A146-E166 HydrophobicContact CB-CB 3.89Å; A146-Y210 HydrophobicContact CB-CD1 3.73Å; A146-Y210 HydrophobicContact CB-CD2 4.41Å; A146-Y210 HydrophobicContact CB-CE1 3.52Å; A146-Y210 HydrophobicContact CB-CE2 4.23Å; A146-Y210 HydrophobicContact CB-CG 4.17Å; A146-L224 PolarHBondContact N-O 2.67Å; A146-M225 HydrophobicContact CB-CG 4.1Å; A146-M225 WeakPolarHBondContact O-CA 3.46Å; A146-V226 PolarHBondContact O-N 2.9Å
147	F	98.6	Very high	94.9	Very high	6 Å²	6	23.5 Å²	23.5	3%	0.026	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	131.1	-179.4	-169.2	-83.1	0	0	0	111.4	K150 Y151 W164 E166 W167 V168 A169 V226	F147-K150 WeakPolarHBondContact CZ-O 3.49Å; F147-Y151 HydrophobicContact CE1-CD2 4.39Å; F147-Y151 HydrophobicContact CE2-CD2 4.18Å; F147-Y151 HydrophobicContact CZ-CD2 4.02Å; F147-W164 HydrophobicContact CB-CD2 3.84Å; F147-W164 HydrophobicContact CB-CE3 3.75Å; F147-W164 HydrophobicContact CB-CG 4.45Å; F147-W164 HydrophobicContact CB-CH2 4.23Å; F147-W164 HydrophobicContact CB-CZ2 4.3Å; F147-W164 HydrophobicContact CB-CZ3 3.96Å; F147-W164 AromaticContact CD2-CH2 3.77Å; F147-W164 HydrophobicContact CD2-CH2 3.77Å; F147-W164 AromaticContact CD2-CZ2 3.71Å; F147-W164 HydrophobicContact CD2-CZ2 3.71Å; F147-W164 HydrophobicContact CD2-CZ3 4.31Å; F147-W164 HydrophobicContact CG-CH2 4.5Å; F147-W164 HydrophobicContact CG-CZ2 4.4Å; F147-E166 PolarHBondContact N-O 2.84Å; F147-W167 HydrophobicContact CB-CE3 3.58Å; F147-W167 HydrophobicContact CB-CZ3 3.56Å; F147-W167 HydrophobicContact CD1-CE3 4.22Å; F147-W167 HydrophobicContact CD1-CH2 4.05Å; F147-W167 AromaticContact CD1-CZ3 3.74Å; F147-W167 HydrophobicContact CD1-CZ3 3.74Å; F147-W167 HydrophobicContact CD2-CZ3 4.28Å; F147-W167 HydrophobicContact CG-CE3 4.07Å; F147-W167 HydrophobicContact CG-CH2 4.28Å; F147-W167 AromaticContact CG-CZ3 3.58Å; F147-W167 HydrophobicContact CG-CZ3 3.58Å; F147-V168 PolarHBondContact O-N 3.15Å; F147-A169 HydrophobicContact CD1-CB 4.26Å; F147-A169 HydrophobicContact CE1-CB 4.44Å; F147-V226 HydrophobicContact CD2-CB 3.7Å; F147-V226 HydrophobicContact CD2-CG1 3.94Å; F147-V226 HydrophobicContact CD2-CG2 4.33Å; F147-V226 HydrophobicContact CE2-CB 3.97Å; F147-V226 HydrophobicContact CE2-CG1 3.65Å
148	F	98.3	Very high	94.6	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	124.2	-179.4	-52.9	-87.4	0	0	0	110.1	A146 E166 V168 I203 N206 Y210 M225 V226 S228	A146-F148 HydrophobicContact CB-CE2 3.56Å; A146-F148 HydrophobicContact CB-CZ 3.8Å; F148-E166 HydrophobicContact CE1-CG 4.01Å; F148-E166 HydrophobicContact CZ-CG 4.04Å; F148-V168 WeakPolarHBondContact CA-O 3.26Å; F148-V168 HydrophobicContact CD1-CB 3.78Å; F148-V168 HydrophobicContact CD1-CG2 3.74Å; F148-V168 HydrophobicContact CE1-CB 4.35Å; F148-V168 HydrophobicContact CE1-CG2 3.8Å; F148-I203 HydrophobicContact CB-CB 4.43Å; F148-I203 HydrophobicContact CB-CG1 4.44Å; F148-I203 HydrophobicContact CB-CG2 3.86Å; F148-N206 HydrophobicContact CD1-CB 3.97Å; F148-N206 HydrophobicContact CE1-CB 3.88Å; F148-Y210 HydrophobicContact CZ-CG 4.11Å; F148-M225 HydrophobicContact CE2-CE 4.4Å; F148-M225 HydrophobicContact CE2-CG 4.3Å; F148-V226 PolarHBondContact N-O 3.03Å; F148-S228 PolarHBondContact O-N 2.91Å
149	G	96.7	Very high	94.5	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	103.4	-141.2	172.8	0	0	0	0	0	115.9	Y151 V168 A169 L170 I203 S228	G149-Y151 PolarHBondContact O-N 3.35Å; G149-V168 PolarHBondContact N-O 2.88Å; G149-A169 CarbonylContact O-C 3.53Å; G149-A169 VanDerWaalsContact O-CA 3.24Å; G149-A169 WeakPolarHBondContact O-CA 3.42Å; G149-L170 PolarHBondContact O-N 2.81Å; G149-I203 VanDerWaalsContact CA-CD1 3.45Å; G149-S228 CarbonylContact C-O 3.51Å; G149-S228 WeakPolarHBondContact CA-O 3.4Å
150	K	96.3	Very high	94.4	Very high	1 Å²	1	28.4 Å²	28.4	0%	0.004	16%	0.158	C	C	.	.			trans	-78.1	109.8	-170.9	-174.7	-166	179.1	-175.1	0	112.3	D59 R99 F147 S174 S228 V230	D59-K150 WeakPolarHBondContact OD1-CD 3.31Å; D59-K150 IonicContact OD1-NZ 2.75Å; D59-K150 PolarHBondContact OD1-NZ 2.79Å; D59-K150 VanDerWaalsContact OD2-CD 3.27Å; D59-K150 WeakPolarHBondContact OD2-CD 3.47Å; D59-K150 WeakPolarHBondContact OD2-CE 3.42Å; D59-K150 IonicContact OD2-NZ 3.36Å; D59-K150 PolarHBondContact OD2-NZ 3.18Å; R99-K150 PolarHBondContact NH1-O 2.73Å; F147-K150 WeakPolarHBondContact CZ-O 3.49Å; K150-S174 WeakPolarHBondContact CD-OG 3.49Å; K150-S174 WeakPolarHBondContact CE-OG 3.46Å; K150-S174 PolarHBondContact NZ-OG 3.45Å; K150-S228 PolarHBondContact N-O 2.98Å; K150-S228 WeakPolarHBondContact O-CB 3.27Å; K150-S228 PolarHBondContact O-OG 3.1Å; K150-V230 HydrophobicContact CB-CG1 4.08Å
151	Y	95.6	Very high	94.4	Very high	3 Å²	3	22.9 Å²	22.9	1%	0.012	13%	0.129	C	C	.	.			trans	-76.3	-80.6	171.1	-174	-130	0	0	0	111.7	L103 W125 F147 G149 Y155 P161 W167	L103-Y151 HydrophobicContact CD1-CD2 4.08Å; L103-Y151 HydrophobicContact CD1-CE2 3.43Å; L103-Y151 VanDerWaalsContact CD1-CE2 3.43Å; L103-Y151 HydrophobicContact CD2-CE2 3.99Å; L103-Y151 HydrophobicContact CG-CE2 4.4Å; W125-Y151 WeakPolarHBondContact CH2-OH 3.49Å; W125-Y151 HydrophobicContact CZ3-CE1 4.12Å; F147-Y151 HydrophobicContact CE1-CD2 4.39Å; F147-Y151 HydrophobicContact CE2-CD2 4.18Å; F147-Y151 HydrophobicContact CZ-CD2 4.02Å; G149-Y151 PolarHBondContact O-N 3.35Å; Y151-Y155 HydrophobicContact CD1-CD2 4.14Å; Y151-Y155 HydrophobicContact CD1-CG 4.22Å; Y151-P161 HydrophobicContact CD1-CG 4.25Å; Y151-P161 HydrophobicContact CE1-CB 4.32Å; Y151-P161 HydrophobicContact CE1-CG 3.65Å; Y151-W167 AromaticContact CD1-CH2 3.83Å; Y151-W167 HydrophobicContact CD1-CH2 3.83Å; Y151-W167 HydrophobicContact CD1-CZ2 4.12Å; Y151-W167 AromaticContact CD2-CH2 3.62Å; Y151-W167 HydrophobicContact CD2-CH2 3.62Å; Y151-W167 HydrophobicContact CD2-CZ3 4.36Å; Y151-W167 HydrophobicContact CE1-CH2 4.19Å; Y151-W167 AromaticContact CE2-CH2 3.98Å; Y151-W167 HydrophobicContact CE2-CH2 3.98Å; Y151-W167 AromaticContact CG-CH2 3.53Å; Y151-W167 HydrophobicContact CG-CH2 3.53Å; Y151-W167 HydrophobicContact CG-CZ2 4.08Å
152	L	94.1	Very high	94.5	Very high	1 Å²	1	23.9 Å²	23.9	1%	0.005	13%	0.134	C	C	.	.			trans	-146.7	149.8	-176.4	-67.7	-179.9	0	0	0	110.2	R99 L103 S121 W125 E154 Y155	R99-L152 HydrophobicContact CB-CD2 3.46Å; R99-L152 VanDerWaalsContact CB-CD2 3.46Å; L103-L152 HydrophobicContact CD1-CD1 4.43Å; L103-L152 HydrophobicContact CD1-CD2 4.28Å; L103-L152 HydrophobicContact CD1-CG 4.4Å; S121-L152 WeakPolarHBondContact OG-CB 3.39Å; W125-L152 HydrophobicContact CD2-CD1 4.39Å; W125-L152 HydrophobicContact CE3-CD1 3.91Å; W125-L152 HydrophobicContact CH2-CD1 3.39Å; W125-L152 HydrophobicContact CZ2-CD1 3.88Å; W125-L152 HydrophobicContact CZ3-CD1 3.35Å; L152-E154 PolarHBondContact O-N 3.29Å; L152-Y155 VanDerWaalsContact O-CB 3.27Å; L152-Y155 WeakPolarHBondContact O-CB 3.38Å; L152-Y155 PolarHBondContact O-N 3.32Å; L152-Y155 VanDerWaalsContact O-N 3.08Å
153	N	88.4	Confident	94.6	Very high	14 Å²	14	23 Å²	23	8%	0.075	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-31.3	-164.6	-78.1	84.5	0	0	0	116.8	C96 N116 K172	C96-N153 HydrophobicContact CB-CB 4.35Å; N116-N153 HydrophobicContact CB-CB 4.27Å; N153-K172 CarbonylContact O-C 3.5Å; N153-K172 WeakPolarHBondContact O-CA 3.3Å
154	E	87.5	Confident	94.7	Very high	94 Å²	94	23.7 Å²	23.7	44%	0.439	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.8	15.5	180	-74.5	-75.6	172.1	0	0	112.1	L152 N156	L152-E154 PolarHBondContact O-N 3.29Å; E154-N156 PolarHBondContact O-N 3.25Å
155	Y	92.6	Very high	94.6	Very high	1 Å²	1	27.4 Å²	27.4	0%	0.004	15%	0.145	C	C	.	.			trans	-62.4	124.8	173.9	174.1	-107.1	0	0	0	110.5	S121 Y151 L152 Y159 P161 W167 A169 K172 C182	S121-Y155 PolarHBondContact OG-N 3.28Å; Y151-Y155 HydrophobicContact CD1-CD2 4.14Å; Y151-Y155 HydrophobicContact CD1-CG 4.22Å; L152-Y155 VanDerWaalsContact O-CB 3.27Å; L152-Y155 WeakPolarHBondContact O-CB 3.38Å; L152-Y155 PolarHBondContact O-N 3.32Å; L152-Y155 VanDerWaalsContact O-N 3.08Å; Y155-Y159 HydrophobicContact CD2-CE1 4.1Å; Y155-Y159 HydrophobicContact CE2-CD1 4.32Å; Y155-Y159 AromaticContact CE2-CE1 3.84Å; Y155-Y159 HydrophobicContact CE2-CE1 3.84Å; Y155-Y159 AromaticContact CE2-CZ 3.97Å; Y155-Y159 PolarHBondContact OH-O 2.89Å; Y155-P161 HydrophobicContact CE2-CG 4.34Å; Y155-W167 HydrophobicContact CE1-CZ2 4.16Å; Y155-W167 AromaticContact CE1-NE1 4Å; Y155-W167 HydrophobicContact CE2-CZ2 4.17Å; Y155-W167 AromaticContact CZ-CZ2 3.85Å; Y155-W167 AromaticContact CZ-NE1 3.57Å; Y155-W167 PolarHBondContact OH-NE1 2.89Å; Y155-A169 HydrophobicContact CD1-CB 4.41Å; Y155-A169 HydrophobicContact CE1-CB 3.94Å; Y155-K172 PolarHBondContact O-N 3.48Å; Y155-C182 HydrophobicContact CE1-CB 3.96Å; Y155-C182 WeakPolarHBondContact OH-CB 3.24Å; Y155-C182 PolarHBondContact OH-SG 3.2Å; Y155-C182 VanDerWaalsContact OH-SG 3.37Å
156	N	90	Very high	94.5	Very high	69 Å²	69	28.8 Å²	28.8	37%	0.369	15%	0.152	S	C	.	.			trans	-97.1	-9.2	-164.2	69.9	-8.1	0	0	0	114.5	E154 S158	E154-N156 PolarHBondContact O-N 3.25Å; N156-S158 PolarHBondContact ND2-OG 3.14Å; N156-S158 PolarHBondContact OD1-N 3.41Å; N156-S158 PolarHBondContact OD1-OG 2.04Å
157	G	91.1	Very high	94.5	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.152	C	C	.	.	S	Bend	trans	64.6	34.4	-174.3	0	0	0	0	0	114.4	R187	G157-R187 VanDerWaalsContact O-CD 3.28Å; G157-R187 WeakPolarHBondContact O-CD 3.46Å; G157-R187 WeakPolarHBondContact O-CG 3.47Å; G157-R187 PolarHBondContact O-NH1 3.13Å
158	S	90.3	Very high	94.4	Very high	76 Å²	76	28.6 Å²	28.6	53%	0.531	15%	0.151	S	C	.	.	S	Bend	trans	-105	-3.7	176.1	79.9	0	0	0	0	115	N156	N156-S158 PolarHBondContact ND2-OG 3.14Å; N156-S158 PolarHBondContact OD1-N 3.41Å; N156-S158 PolarHBondContact OD1-OG 2.04Å
159	Y	93.8	Very high	94.3	Very high	48 Å²	48	28.6 Å²	28.6	19%	0.188	15%	0.151	C	C	.	.	S	Bend	trans	-158.9	159.4	-178.6	69.4	-73.2	0	0	0	109.3	Q126 E130 Y155 P161	Q126-Y159 HydrophobicContact CG-CE2 4.41Å; Q126-Y159 WeakPolarHBondContact CG-OH 3.29Å; Q126-Y159 PolarHBondContact NE2-OH 3.39Å; E130-Y159 PolarHBondContact OE1-OH 2.72Å; E130-Y159 VanDerWaalsContact OE2-CE2 3.32Å; E130-Y159 WeakPolarHBondContact OE2-CE2 3.45Å; Y155-Y159 HydrophobicContact CD2-CE1 4.1Å; Y155-Y159 HydrophobicContact CE2-CD1 4.32Å; Y155-Y159 AromaticContact CE2-CE1 3.84Å; Y155-Y159 HydrophobicContact CE2-CE1 3.84Å; Y155-Y159 AromaticContact CE2-CZ 3.97Å; Y155-Y159 PolarHBondContact OH-O 2.89Å; Y159-P161 HydrophobicContact CD2-CG 4.41Å; Y159-P161 HydrophobicContact CE2-CB 4.15Å; Y159-P161 HydrophobicContact CE2-CG 3.74Å
160	V	96.1	Very high	94.3	Very high	52 Å²	52	28.7 Å²	28.7	32%	0.315	15%	0.151	S	C	.	.	P	Polyproline II helix	trans	-93.7	125.1	165.8	178.1	0	0	0	0	107.5	W164 W167 N184 G185	V160-W164 HydrophobicContact CG1-CB 4.39Å; V160-W167 HydrophobicContact CB-CG 4.37Å; V160-W167 HydrophobicContact CG1-CB 3.7Å; V160-W167 HydrophobicContact CG1-CD2 4.08Å; V160-W167 HydrophobicContact CG1-CG 3.71Å; V160-W167 HydrophobicContact CG2-CB 4.17Å; V160-W167 HydrophobicContact CG2-CG 4.1Å; V160-N184 VanDerWaalsContact CG2-C 3.48Å; V160-G185 VanDerWaalsContact CG2-N 3.35Å
161	P	96.1	Very high	94.1	Very high	2 Å²	2	29.7 Å²	29.7	1%	0.013	16%	0.157	C	C	.	.	P	Polyproline II helix	trans	-58.8	149.8	174.1	-25	35.9	0	0	0	111.8	Y151 Y155 Y159 W167	Y151-P161 HydrophobicContact CD1-CG 4.25Å; Y151-P161 HydrophobicContact CE1-CB 4.32Å; Y151-P161 HydrophobicContact CE1-CG 3.65Å; Y155-P161 HydrophobicContact CE2-CG 4.34Å; Y159-P161 HydrophobicContact CD2-CG 4.41Å; Y159-P161 HydrophobicContact CE2-CB 4.15Å; Y159-P161 HydrophobicContact CE2-CG 3.74Å; P161-W167 HydrophobicContact CB-CH2 4.4Å; P161-W167 VanDerWaalsContact CD-CE2 3.43Å; P161-W167 HydrophobicContact CG-CH2 3.54Å; P161-W167 HydrophobicContact CG-CZ2 3.56Å; P161-W167 HydrophobicContact CG-CZ3 4.18Å
162	P	96.4	Very high	93.7	Very high	53 Å²	53	35.1 Å²	35.1	34%	0.344	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	152.7	178.5	27.2	-36.6	0	0	0	111.9	E130 V136	E130-P162 HydrophobicContact CB-CG 3.85Å; V136-P162 HydrophobicContact CG2-CB 3.9Å; V136-P162 HydrophobicContact CG2-CG 4.1Å; V136-P162 WeakPolarHBondContact CG2-O 3.39Å
163	G	95.9	Very high	93	Very high	9 Å²	9	39.8 Å²	39.8	9%	0.093	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.7	2.4	175.2	0	0	0	0	0	116.1	N139 T145	N139-G163 WeakPolarHBondContact CB-O 3.49Å; T145-G163 VanDerWaalsContact CB-O 3.22Å; T145-G163 WeakPolarHBondContact CB-O 3.49Å; T145-G163 PolarHBondContact OG1-O 2.82Å
164	W	97.4	Very high	92.8	Very high	19 Å²	19	39.4 Å²	39.4	7%	0.072	20%	0.204	C	C	.	.			trans	-113.2	137.6	178.2	-56	103.9	0	0	0	112.3	F134 A135 T145 A146 F147 V160 W167 L224 V226	F134-W164 HydrophobicContact CE2-CH2 4.15Å; F134-W164 HydrophobicContact CZ-CH2 4.46Å; A135-W164 HydrophobicContact CB-CD2 4.02Å; A135-W164 VanDerWaalsContact CB-CE2 3.46Å; A135-W164 HydrophobicContact CB-CE3 4.26Å; A135-W164 HydrophobicContact CB-CH2 3.54Å; A135-W164 HydrophobicContact CB-CZ2 3.24Å; A135-W164 HydrophobicContact CB-CZ3 4.04Å; T145-W164 WeakPolarHBondContact OG1-CA 3.4Å; A146-W164 WeakPolarHBondContact O-CZ3 3.26Å; F147-W164 HydrophobicContact CB-CD2 3.84Å; F147-W164 HydrophobicContact CB-CE3 3.75Å; F147-W164 HydrophobicContact CB-CG 4.45Å; F147-W164 HydrophobicContact CB-CH2 4.23Å; F147-W164 HydrophobicContact CB-CZ2 4.3Å; F147-W164 HydrophobicContact CB-CZ3 3.96Å; F147-W164 AromaticContact CD2-CH2 3.77Å; F147-W164 HydrophobicContact CD2-CH2 3.77Å; F147-W164 AromaticContact CD2-CZ2 3.71Å; F147-W164 HydrophobicContact CD2-CZ2 3.71Å; F147-W164 HydrophobicContact CD2-CZ3 4.31Å; F147-W164 HydrophobicContact CG-CH2 4.5Å; F147-W164 HydrophobicContact CG-CZ2 4.4Å; V160-W164 HydrophobicContact CG1-CB 4.39Å; W164-W167 HydrophobicContact CB-CE3 3.9Å; W164-W167 AromaticContact CD1-CE3 3.54Å; W164-W167 AromaticContact CD1-CZ3 3.38Å; W164-W167 HydrophobicContact CD2-CE3 4.21Å; W164-W167 HydrophobicContact CD2-CZ3 4.13Å; W164-W167 AromaticContact CE2-CZ3 3.93Å; W164-W167 AromaticContact CG-CE3 3.59Å; W164-W167 HydrophobicContact CG-CE3 3.59Å; W164-W167 AromaticContact CG-CZ3 3.79Å; W164-W167 HydrophobicContact CG-CZ3 3.79Å; W164-W167 AromaticContact NE1-CZ3 3.48Å; W164-L224 HydrophobicContact CZ3-CD2 4.24Å; W164-V226 HydrophobicContact CH2-CB 4.38Å; W164-V226 HydrophobicContact CH2-CG2 3.68Å; W164-V226 HydrophobicContact CZ3-CG2 4.12Å
165	K	95.1	Very high	92.9	Very high	127 Å²	127	40 Å²	40	55%	0.552	20%	0.203	S	C	*	.	S	Bend	trans	-102.3	-26.7	175.4	-64.3	-56.1	-166.2	-162.1	0	114	N139 T145	N139-K165 WeakPolarHBondContact OD1-CE 3.5Å; N139-K165 PolarHBondContact OD1-NZ 3.29Å; T145-K165 WeakPolarHBondContact O-CA 3.33Å; T145-K165 WeakPolarHBondContact O-CB 3.43Å; T145-K165 PolarHBondContact O-N 2.87Å; T145-K165 PolarHBondContact OG1-N 3.25Å
166	E	97	Very high	92.9	Very high	30 Å²	30	40 Å²	40	14%	0.14	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	135.8	162.8	177	74.5	-178.4	0	0	107.8	T145 A146 F147 F148 V168 R183 N184 Y210	T145-E166 PolarHBondContact O-N 3.48Å; A146-E166 VanDerWaalsContact CA-O 3.26Å; A146-E166 WeakPolarHBondContact CA-O 3.35Å; A146-E166 HydrophobicContact CB-CB 3.89Å; F147-E166 PolarHBondContact N-O 2.84Å; F148-E166 HydrophobicContact CE1-CG 4.01Å; F148-E166 HydrophobicContact CZ-CG 4.04Å; E166-V168 HydrophobicContact CG-CG2 4.27Å; E166-R183 IonicContact OE1-NE 2.64Å; E166-R183 IonicContact OE1-NH2 3.64Å; E166-N184 PolarHBondContact OE2-ND2 3.43Å; E166-Y210 HydrophobicContact CB-CD2 3.51Å; E166-Y210 HydrophobicContact CB-CE2 3.35Å; E166-Y210 HydrophobicContact CB-CG 4.41Å; E166-Y210 HydrophobicContact CG-CD2 3.8Å; E166-Y210 HydrophobicContact CG-CE2 4.18Å
167	W	97.7	Very high	93	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	114.7	-173	-179.1	-100.6	0	0	0	109.4	F147 Y151 Y155 V160 P161 W164 A169 R183 N184	F147-W167 HydrophobicContact CB-CE3 3.58Å; F147-W167 HydrophobicContact CB-CZ3 3.56Å; F147-W167 HydrophobicContact CD1-CE3 4.22Å; F147-W167 HydrophobicContact CD1-CH2 4.05Å; F147-W167 AromaticContact CD1-CZ3 3.74Å; F147-W167 HydrophobicContact CD1-CZ3 3.74Å; F147-W167 HydrophobicContact CD2-CZ3 4.28Å; F147-W167 HydrophobicContact CG-CE3 4.07Å; F147-W167 HydrophobicContact CG-CH2 4.28Å; F147-W167 AromaticContact CG-CZ3 3.58Å; F147-W167 HydrophobicContact CG-CZ3 3.58Å; Y151-W167 AromaticContact CD1-CH2 3.83Å; Y151-W167 HydrophobicContact CD1-CH2 3.83Å; Y151-W167 HydrophobicContact CD1-CZ2 4.12Å; Y151-W167 AromaticContact CD2-CH2 3.62Å; Y151-W167 HydrophobicContact CD2-CH2 3.62Å; Y151-W167 HydrophobicContact CD2-CZ3 4.36Å; Y151-W167 HydrophobicContact CE1-CH2 4.19Å; Y151-W167 AromaticContact CE2-CH2 3.98Å; Y151-W167 HydrophobicContact CE2-CH2 3.98Å; Y151-W167 AromaticContact CG-CH2 3.53Å; Y151-W167 HydrophobicContact CG-CH2 3.53Å; Y151-W167 HydrophobicContact CG-CZ2 4.08Å; Y155-W167 HydrophobicContact CE1-CZ2 4.16Å; Y155-W167 AromaticContact CE1-NE1 4Å; Y155-W167 HydrophobicContact CE2-CZ2 4.17Å; Y155-W167 AromaticContact CZ-CZ2 3.85Å; Y155-W167 AromaticContact CZ-NE1 3.57Å; Y155-W167 PolarHBondContact OH-NE1 2.89Å; V160-W167 HydrophobicContact CB-CG 4.37Å; V160-W167 HydrophobicContact CG1-CB 3.7Å; V160-W167 HydrophobicContact CG1-CD2 4.08Å; V160-W167 HydrophobicContact CG1-CG 3.71Å; V160-W167 HydrophobicContact CG2-CB 4.17Å; V160-W167 HydrophobicContact CG2-CG 4.1Å; P161-W167 HydrophobicContact CB-CH2 4.4Å; P161-W167 VanDerWaalsContact CD-CE2 3.43Å; P161-W167 HydrophobicContact CG-CH2 3.54Å; P161-W167 HydrophobicContact CG-CZ2 3.56Å; P161-W167 HydrophobicContact CG-CZ3 4.18Å; W164-W167 HydrophobicContact CB-CE3 3.9Å; W164-W167 AromaticContact CD1-CE3 3.54Å; W164-W167 AromaticContact CD1-CZ3 3.38Å; W164-W167 HydrophobicContact CD2-CE3 4.21Å; W164-W167 HydrophobicContact CD2-CZ3 4.13Å; W164-W167 AromaticContact CE2-CZ3 3.93Å; W164-W167 AromaticContact CG-CE3 3.59Å; W164-W167 HydrophobicContact CG-CE3 3.59Å; W164-W167 AromaticContact CG-CZ3 3.79Å; W164-W167 HydrophobicContact CG-CZ3 3.79Å; W164-W167 AromaticContact NE1-CZ3 3.48Å; W167-A169 HydrophobicContact CD2-CB 4.08Å; W167-A169 HydrophobicContact CH2-CB 4.02Å; W167-A169 HydrophobicContact CZ2-CB 3.27Å; W167-R183 CarbonylContact O-C 3.54Å; W167-R183 WeakPolarHBondContact O-CA 3.5Å; W167-N184 PolarHBondContact N-OD1 2.82Å; W167-N184 PolarHBondContact O-N 3.44Å; W167-N184 PolarHBondContact O-OD1 3.33Å
168	V	97.1	Very high	93	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.006	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	71.8	178.7	-172.3	0	0	0	0	108.2	F147 F148 G149 E166 L181 C182 R183	F147-V168 PolarHBondContact O-N 3.15Å; F148-V168 WeakPolarHBondContact CA-O 3.26Å; F148-V168 HydrophobicContact CD1-CB 3.78Å; F148-V168 HydrophobicContact CD1-CG2 3.74Å; F148-V168 HydrophobicContact CE1-CB 4.35Å; F148-V168 HydrophobicContact CE1-CG2 3.8Å; G149-V168 PolarHBondContact N-O 2.88Å; E166-V168 HydrophobicContact CG-CG2 4.27Å; V168-L181 HydrophobicContact CG1-CD1 3.89Å; V168-C182 WeakPolarHBondContact CA-O 3.49Å; V168-R183 HydrophobicContact CG2-CG 4.34Å
169	A	96	Very high	93.1	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	141.3	-169.8	0	0	0	0	0	114.2	F147 G149 Y155 W167 L181 C182	F147-A169 HydrophobicContact CD1-CB 4.26Å; F147-A169 HydrophobicContact CE1-CB 4.44Å; G149-A169 CarbonylContact O-C 3.53Å; G149-A169 VanDerWaalsContact O-CA 3.24Å; G149-A169 WeakPolarHBondContact O-CA 3.42Å; Y155-A169 HydrophobicContact CD1-CB 4.41Å; Y155-A169 HydrophobicContact CE1-CB 3.94Å; W167-A169 HydrophobicContact CD2-CB 4.08Å; W167-A169 HydrophobicContact CH2-CB 4.02Å; W167-A169 HydrophobicContact CZ2-CB 3.27Å; A169-L181 CarbonylContact O-C 3.48Å; A169-L181 WeakPolarHBondContact O-CA 3.45Å; A169-C182 PolarHBondContact N-O 2.94Å; A169-C182 PolarHBondContact O-N 3.02Å
170	L	95.2	Very high	93.2	Very high	2 Å²	2	37 Å²	37	1%	0.01	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	130.3	178.2	-169.8	66	0	0	0	111.7	G149 N173 Y179 L181 L199 V230	G149-L170 PolarHBondContact O-N 2.81Å; L170-N173 WeakPolarHBondContact CD2-O 3.37Å; L170-Y179 HydrophobicContact CD1-CD2 3.56Å; L170-Y179 HydrophobicContact CD1-CE2 4.42Å; L170-Y179 HydrophobicContact CD1-CG 3.78Å; L170-L181 HydrophobicContact CB-CD2 4.46Å; L170-L181 HydrophobicContact CD1-CD2 4.04Å; L170-L199 HydrophobicContact CD1-CD2 3.98Å; L170-L199 HydrophobicContact CD2-CD2 3.92Å; L170-L199 HydrophobicContact CG-CD2 4.47Å; L170-V230 HydrophobicContact CD2-CG1 3.77Å
171	V	93.4	Very high	93.2	Very high	22 Å²	22	34.6 Å²	34.6	13%	0.133	17%	0.169	C	C	.	.			trans	-85	117.8	178.4	179.3	0	0	0	0	110.4	N173 T180 C182	V171-N173 PolarHBondContact O-N 3.01Å; V171-T180 WeakPolarHBondContact CB-O 3.33Å; V171-T180 HydrophobicContact CG2-CG2 4.26Å; V171-T180 WeakPolarHBondContact CG2-O 3.47Å; V171-T180 PolarHBondContact N-O 2.88Å; V171-C182 HydrophobicContact CG2-CB 4.11Å
172	K	87.6	Confident	93.2	Very high	117 Å²	117	34.5 Å²	34.5	51%	0.509	17%	0.168	S	C	.	.	S	Bend	trans	67.6	-109.7	-177.6	-55.4	162.5	-174.6	165.6	0	114.9	N153 Y155	N153-K172 CarbonylContact O-C 3.5Å; N153-K172 WeakPolarHBondContact O-CA 3.3Å; Y155-K172 PolarHBondContact O-N 3.48Å
173	N	78.6	Confident	93.1	Very high	99 Å²	99	36.2 Å²	36.2	53%	0.529	17%	0.168	S	C	.	.	S	Bend	trans	-90.2	143.5	-163.4	-70.4	-14.4	0	0	0	112.9	L170 V171 R175	L170-N173 WeakPolarHBondContact CD2-O 3.37Å; V171-N173 PolarHBondContact O-N 3.01Å; N173-R175 PolarHBondContact O-N 3.45Å
174	S	85	Confident	93.1	Very high	6 Å²	6	39.5 Å²	39.5	4%	0.042	18%	0.183	C	C	.	.			trans	-48.6	126.4	166.2	-52.1	0	0	0	0	111.2	D59 K150	D59-S174 PolarHBondContact OD1-OG 3.29Å; K150-S174 WeakPolarHBondContact CD-OG 3.49Å; K150-S174 WeakPolarHBondContact CE-OG 3.46Å; K150-S174 PolarHBondContact NZ-OG 3.45Å
175	R	89.5	Confident	92.8	Very high	108 Å²	108	40.1 Å²	40.1	41%	0.408	20%	0.195	S	C	.	.			trans	-157.3	150.1	176.9	-72.8	-170.7	169.6	-168.3	-10.2	109.8	N173 N178 L199	N173-R175 PolarHBondContact O-N 3.45Å; R175-N178 WeakPolarHBondContact CD-O 3.48Å; R175-N178 PolarHBondContact NH1-O 3.09Å; R175-L199 WeakPolarHBondContact O-CD2 3.36Å
176	F	91.4	Very high	92.8	Very high	1 Å²	1	38.6 Å²	38.6	0%	0.004	20%	0.197	C	C	.	.	S	Bend	trans	-93.8	-24.5	173	-66.3	-88	0	0	0	114.3	Y179 Y198 L199 V230 A231 H233 P235 D237 T293	F176-Y179 WeakPolarHBondContact O-CE1 3.21Å; F176-Y198 HydrophobicContact CB-CD2 4.12Å; F176-Y198 HydrophobicContact CB-CE2 3.76Å; F176-Y198 HydrophobicContact CD1-CD2 4.43Å; F176-Y198 AromaticContact CD1-CE2 3.51Å; F176-Y198 HydrophobicContact CD1-CE2 3.51Å; F176-Y198 AromaticContact CD1-CZ 3.78Å; F176-Y198 HydrophobicContact CE1-CE2 4.47Å; F176-Y198 AromaticContact CG-CE2 3.98Å; F176-Y198 HydrophobicContact CG-CE2 3.98Å; F176-L199 PolarHBondContact O-N 2.87Å; F176-V230 HydrophobicContact CD1-CG2 3.97Å; F176-V230 HydrophobicContact CE1-CG2 3.78Å; F176-V230 HydrophobicContact CE2-CG2 4.35Å; F176-V230 HydrophobicContact CG-CG2 4.36Å; F176-V230 HydrophobicContact CZ-CG2 3.98Å; F176-A231 HydrophobicContact CE1-CB 3.99Å; F176-A231 HydrophobicContact CZ-CB 3.86Å; F176-H233 WeakPolarHBondContact CE2-O 3.12Å; F176-P235 WeakPolarHBondContact CD2-O 3.34Å; F176-P235 VanDerWaalsContact CE2-O 3.26Å; F176-P235 WeakPolarHBondContact CE2-O 3.4Å; F176-D237 HydrophobicContact CB-CB 4.36Å; F176-D237 HydrophobicContact CD2-CB 4.33Å; F176-D237 VanDerWaalsContact CG-O 3.3Å; F176-D237 WeakPolarHBondContact CG-O 3.37Å; F176-T293 HydrophobicContact CE1-CG2 4.07Å; F176-T293 HydrophobicContact CE2-CG2 3.93Å; F176-T293 HydrophobicContact CZ-CG2 3.55Å
177	Y	91.6	Very high	92.7	Very high	11 Å²	11	44.3 Å²	44.3	4%	0.043	22%	0.217	C	C	.	.	S	Bend	trans	-141.6	166	-179	-56.7	-72.6	0	0	0	110.2	Y179 Y198 D237 S238 T757	Y177-Y179 VanDerWaalsContact C-CD1 3.46Å; Y177-Y198 HydrophobicContact CD1-CD2 4.43Å; Y177-Y198 AromaticContact CE1-CD2 3.64Å; Y177-Y198 HydrophobicContact CE1-CD2 3.64Å; Y177-Y198 HydrophobicContact CE1-CG 4.28Å; Y177-Y198 HydrophobicContact CE2-CD2 4.03Å; Y177-Y198 HydrophobicContact CE2-CE2 4.25Å; Y177-Y198 AromaticContact CZ-CD2 3.41Å; Y177-Y198 VanDerWaalsContact CZ-CD2 3.41Å; Y177-Y198 AromaticContact CZ-CE2 3.99Å; Y177-Y198 VanDerWaalsContact OH-CD2 3.32Å; Y177-Y198 WeakPolarHBondContact OH-CD2 3.29Å; Y177-D237 HydrophobicContact CD2-CB 4.09Å; Y177-D237 HydrophobicContact CE2-CB 4.04Å; Y177-S238 PolarHBondContact OH-O 3.04Å; Y177-T757 HydrophobicContact CE2-CG2 3.99Å
178	N	91.6	Very high	92.5	Very high	65 Å²	65	47.4 Å²	47.4	35%	0.348	23%	0.231	S	C	.	.	S	Bend	trans	54.4	56.7	175.7	-65.1	-49.6	0	0	0	113	R175 H190 S191 Q756	R175-N178 WeakPolarHBondContact CD-O 3.48Å; R175-N178 PolarHBondContact NH1-O 3.09Å; N178-H190 WeakPolarHBondContact CA-O 3.49Å; N178-S191 PolarHBondContact N-O 2.75Å; N178-Q756 PolarHBondContact ND2-OE1 3.34Å
179	Y	93.4	Very high	92.4	Very high	14 Å²	14	55.8 Å²	55.8	6%	0.055	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	-172.7	-174.4	60.4	-92.5	0	0	0	113	L170 F176 Y177 L181 H190 D197 L199 I202	L170-Y179 HydrophobicContact CD1-CD2 3.56Å; L170-Y179 HydrophobicContact CD1-CE2 4.42Å; L170-Y179 HydrophobicContact CD1-CG 3.78Å; F176-Y179 WeakPolarHBondContact O-CE1 3.21Å; Y177-Y179 VanDerWaalsContact C-CD1 3.46Å; Y179-L181 HydrophobicContact CD2-CD2 3.99Å; Y179-L181 HydrophobicContact CD2-CG 4.04Å; Y179-L181 HydrophobicContact CE2-CD1 4.07Å; Y179-L181 HydrophobicContact CE2-CD2 3.8Å; Y179-L181 HydrophobicContact CE2-CG 3.69Å; Y179-H190 HydrophobicContact CD1-CB 4.33Å; Y179-H190 HydrophobicContact CD2-CB 4.05Å; Y179-H190 HydrophobicContact CE1-CB 3.9Å; Y179-H190 HydrophobicContact CE2-CB 3.62Å; Y179-H190 AromaticContact CE2-CD2 3.51Å; Y179-H190 AromaticContact CE2-CG 3.67Å; Y179-H190 HydrophobicContact CG-CB 4.37Å; Y179-H190 AromaticContact CZ-CG 3.75Å; Y179-H190 PolarHBondContact N-O 3.29Å; Y179-H190 PolarHBondContact O-N 3.48Å; Y179-H190 VanDerWaalsContact O-N 3.07Å; Y179-D197 WeakPolarHBondContact CE1-O 3.22Å; Y179-D197 VanDerWaalsContact CZ-O 3.3Å; Y179-D197 PolarHBondContact OH-O 3.16Å; Y179-L199 HydrophobicContact CE1-CB 3.86Å; Y179-L199 HydrophobicContact CE2-CB 4.49Å; Y179-L199 HydrophobicContact CE2-CD1 3.76Å; Y179-L199 WeakPolarHBondContact OH-CA 3.24Å; Y179-I202 VanDerWaalsContact OH-CD1 3.24Å; Y179-I202 WeakPolarHBondContact OH-CD1 3.38Å
180	T	95.4	Very high	92.2	Very high	38 Å²	38	57.5 Å²	57.5	23%	0.233	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	129.9	176.4	-57.3	0	0	0	0	108.4	V171 R187 E188	V171-T180 WeakPolarHBondContact CB-O 3.33Å; V171-T180 HydrophobicContact CG2-CG2 4.26Å; V171-T180 WeakPolarHBondContact CG2-O 3.47Å; V171-T180 PolarHBondContact N-O 2.88Å; T180-R187 HydrophobicContact CG2-CB 4.02Å; T180-R187 HydrophobicContact CG2-CG 4.43Å; T180-E188 CarbonylContact C-O 3.57Å; T180-E188 VanDerWaalsContact CA-O 3.23Å; T180-E188 WeakPolarHBondContact CA-O 3.22Å; T180-E188 VanDerWaalsContact CG2-O 3.31Å; T180-E188 WeakPolarHBondContact CG2-O 3.48Å
181	L	95.4	Very high	92.1	Very high	2 Å²	2	60.9 Å²	60.9	1%	0.01	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	149	171.2	-61.7	177.4	0	0	0	109.3	V168 A169 L170 Y179 R187 E188 L199 I202	V168-L181 HydrophobicContact CG1-CD1 3.89Å; A169-L181 CarbonylContact O-C 3.48Å; A169-L181 WeakPolarHBondContact O-CA 3.45Å; L170-L181 HydrophobicContact CB-CD2 4.46Å; L170-L181 HydrophobicContact CD1-CD2 4.04Å; Y179-L181 HydrophobicContact CD2-CD2 3.99Å; Y179-L181 HydrophobicContact CD2-CG 4.04Å; Y179-L181 HydrophobicContact CE2-CD1 4.07Å; Y179-L181 HydrophobicContact CE2-CD2 3.8Å; Y179-L181 HydrophobicContact CE2-CG 3.69Å; L181-R187 CarbonylContact O-C 3.59Å; L181-R187 VanDerWaalsContact O-CA 3.3Å; L181-R187 WeakPolarHBondContact O-CA 3.25Å; L181-E188 PolarHBondContact N-O 2.98Å; L181-E188 PolarHBondContact O-N 2.86Å; L181-L199 HydrophobicContact CD2-CD1 3.86Å; L181-I202 HydrophobicContact CD1-CG2 4.2Å
182	C	95.9	Very high	91.8	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	107.8	159.6	-170.6	0	0	0	0	107.9	Y155 V168 A169 V171 G185 V186	Y155-C182 HydrophobicContact CE1-CB 3.96Å; Y155-C182 WeakPolarHBondContact OH-CB 3.24Å; Y155-C182 PolarHBondContact OH-SG 3.2Å; Y155-C182 VanDerWaalsContact OH-SG 3.37Å; V168-C182 WeakPolarHBondContact CA-O 3.49Å; A169-C182 PolarHBondContact N-O 2.94Å; A169-C182 PolarHBondContact O-N 3.02Å; V171-C182 HydrophobicContact CG2-CB 4.11Å; C182-G185 VanDerWaalsContact SG-CA 3.55Å; C182-V186 CarbonylContact C-O 3.58Å; C182-V186 VanDerWaalsContact CA-O 3.23Å; C182-V186 WeakPolarHBondContact CA-O 3.45Å
183	R	95.6	Very high	92	Very high	90 Å²	90	61.2 Å²	61.2	34%	0.34	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	108.7	176.1	-172.6	171.1	-168.1	-172.2	3.3	109.9	E166 W167 V168 G185 V186 E188	E166-R183 IonicContact OE1-NE 2.64Å; E166-R183 IonicContact OE1-NH2 3.64Å; W167-R183 CarbonylContact O-C 3.54Å; W167-R183 WeakPolarHBondContact O-CA 3.5Å; V168-R183 HydrophobicContact CG2-CG 4.34Å; R183-G185 PolarHBondContact O-N 2.62Å; R183-V186 PolarHBondContact N-O 2.86Å; R183-V186 WeakPolarHBondContact O-CB 3.38Å; R183-V186 PolarHBondContact O-N 3.28Å; R183-E188 HydrophobicContact CB-CG 4.36Å; R183-E188 WeakPolarHBondContact CB-OE2 3.4Å; R183-E188 VanDerWaalsContact CD-OE1 3.28Å; R183-E188 WeakPolarHBondContact CD-OE1 3.49Å; R183-E188 VanDerWaalsContact CD-OE2 3.3Å; R183-E188 WeakPolarHBondContact CD-OE2 3.29Å
184	N	94.6	Very high	92.5	Very high	78 Å²	78	59.5 Å²	59.5	42%	0.417	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.7	34.7	-178.8	-63	-25.1	0	0	0	114.2	V160 E166 W167	V160-N184 VanDerWaalsContact CG2-C 3.48Å; E166-N184 PolarHBondContact OE2-ND2 3.43Å; W167-N184 PolarHBondContact N-OD1 2.82Å; W167-N184 PolarHBondContact O-N 3.44Å; W167-N184 PolarHBondContact O-OD1 3.33Å
185	G	92.4	Very high	92.8	Very high	31 Å²	31	64.1 Å²	64.1	32%	0.32	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	98.9	-23	-178.8	0	0	0	0	0	115.1	V160 C182 R183	V160-G185 VanDerWaalsContact CG2-N 3.35Å; C182-G185 VanDerWaalsContact SG-CA 3.55Å; R183-G185 PolarHBondContact O-N 2.62Å
186	V	94.3	Very high	92.8	Very high	96 Å²	96	66 Å²	66	58%	0.582	34%	0.339	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.9	147.9	174.4	-175.9	0	0	0	0	109.7	C182 R183	C182-V186 CarbonylContact C-O 3.58Å; C182-V186 VanDerWaalsContact CA-O 3.23Å; C182-V186 WeakPolarHBondContact CA-O 3.45Å; R183-V186 PolarHBondContact N-O 2.86Å; R183-V186 WeakPolarHBondContact O-CB 3.38Å; R183-V186 PolarHBondContact O-N 3.28Å
187	R	94.9	Very high	92.9	Very high	149 Å²	149	66.6 Å²	66.6	56%	0.562	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.2	110.7	177.1	-74	-173.6	-62.9	-81.2	-4.5	111.8	G157 T180 L181	G157-R187 VanDerWaalsContact O-CD 3.28Å; G157-R187 WeakPolarHBondContact O-CD 3.46Å; G157-R187 WeakPolarHBondContact O-CG 3.47Å; G157-R187 PolarHBondContact O-NH1 3.13Å; T180-R187 HydrophobicContact CG2-CB 4.02Å; T180-R187 HydrophobicContact CG2-CG 4.43Å; L181-R187 CarbonylContact O-C 3.59Å; L181-R187 VanDerWaalsContact O-CA 3.3Å; L181-R187 WeakPolarHBondContact O-CA 3.25Å
188	E	93.8	Very high	93.1	Very high	65 Å²	65	66.2 Å²	66.2	30%	0.304	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	133.3	179.5	-64	173.2	160.5	0	0	109.3	T180 L181 R183	T180-E188 CarbonylContact C-O 3.57Å; T180-E188 VanDerWaalsContact CA-O 3.23Å; T180-E188 WeakPolarHBondContact CA-O 3.22Å; T180-E188 VanDerWaalsContact CG2-O 3.31Å; T180-E188 WeakPolarHBondContact CG2-O 3.48Å; L181-E188 PolarHBondContact N-O 2.98Å; L181-E188 PolarHBondContact O-N 2.86Å; R183-E188 HydrophobicContact CB-CG 4.36Å; R183-E188 WeakPolarHBondContact CB-OE2 3.4Å; R183-E188 VanDerWaalsContact CD-OE1 3.28Å; R183-E188 WeakPolarHBondContact CD-OE1 3.49Å; R183-E188 VanDerWaalsContact CD-OE2 3.3Å; R183-E188 WeakPolarHBondContact CD-OE2 3.29Å
189	K	94.3	Very high	93.3	Very high	178 Å²	178	63.1 Å²	63.1	77%	0.774	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101	136.2	178.4	-73.5	-176.9	179.7	176.5	0	110.4
190	H	93.3	Very high	93.4	Very high	35 Å²	35	62.4 Å²	62.4	16%	0.162	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	143.1	175.4	-75.1	-76.4	0	0	0	110.8	N178 Y179 D197 I202	N178-H190 WeakPolarHBondContact CA-O 3.49Å; Y179-H190 HydrophobicContact CD1-CB 4.33Å; Y179-H190 HydrophobicContact CD2-CB 4.05Å; Y179-H190 HydrophobicContact CE1-CB 3.9Å; Y179-H190 HydrophobicContact CE2-CB 3.62Å; Y179-H190 AromaticContact CE2-CD2 3.51Å; Y179-H190 AromaticContact CE2-CG 3.67Å; Y179-H190 HydrophobicContact CG-CB 4.37Å; Y179-H190 AromaticContact CZ-CG 3.75Å; Y179-H190 PolarHBondContact N-O 3.29Å; Y179-H190 PolarHBondContact O-N 3.48Å; Y179-H190 VanDerWaalsContact O-N 3.07Å; H190-D197 VanDerWaalsContact CA-OD1 3.3Å; H190-D197 WeakPolarHBondContact CA-OD1 3.45Å; H190-D197 HydrophobicContact CB-CB 4.33Å; H190-D197 VanDerWaalsContact CB-OD1 3.26Å; H190-D197 WeakPolarHBondContact CB-OD1 3.47Å; H190-D197 IonicContact CG-OD1 3.22Å; H190-D197 IonicContact ND1-OD1 3.92Å; H190-D197 PolarHBondContact ND1-OD1 2.96Å; H190-I202 VanDerWaalsContact CE1-CD1 3.45Å; H190-I202 WeakPolarHBondContact CE1-CD1 3.36Å
191	S	91.8	Very high	93.4	Very high	73 Å²	73	61.9 Å²	61.9	51%	0.51	32%	0.318	S	S	.	.			trans	-97.8	-135	-177.7	-49.1	0	0	0	0	109.8	N178 D197	N178-S191 PolarHBondContact N-O 2.75Å; S191-D197 WeakPolarHBondContact CA-OD2 3.49Å; S191-D197 VanDerWaalsContact CB-OD2 3.23Å; S191-D197 WeakPolarHBondContact CB-OD2 3.36Å; S191-D197 PolarHBondContact N-OD1 3.25Å; S191-D197 PolarHBondContact N-OD2 2.96Å
192	S	87.9	Confident	93.5	Very high	77 Å²	77	62.9 Å²	62.9	54%	0.538	32%	0.323	S	S	.	.	S	Bend	trans	-129.6	23	179.9	63.1	0	0	0	0	113.4	Y194 D197	S192-Y194 PolarHBondContact O-N 3.05Å; S192-D197 PolarHBondContact N-OD2 3.35Å
193	D	91.4	Very high	93.4	Very high	69 Å²	69	63 Å²	63	37%	0.369	32%	0.324	S	S	.	.			trans	-84.7	100.8	178.1	179.6	24	0	0	0	110.2	P195 K196 D197	D193-P195 WeakPolarHBondContact OD1-CD 3.46Å; D193-K196 PolarHBondContact O-N 2.95Å; D193-K196 WeakPolarHBondContact OD2-CD 3.47Å; D193-K196 WeakPolarHBondContact OD2-CG 3.1Å; D193-K196 IonicContact OD2-NZ 3.34Å; D193-K196 PolarHBondContact OD2-NZ 3.17Å; D193-D197 PolarHBondContact N-OD2 2.9Å; D193-D197 WeakPolarHBondContact O-CB 3.34Å; D193-D197 PolarHBondContact O-N 3.43Å
194	Y	89.6	Confident	93.5	Very high	63 Å²	63	58.7 Å²	58.7	25%	0.247	31%	0.307	C	S	.	.	H	α-helix	trans	-45.2	-51.9	-166.8	161.7	-106	0	0	0	115.2	S192 K196 Y198 A239 P240 Q241	S192-Y194 PolarHBondContact O-N 3.05Å; Y194-K196 PolarHBondContact O-N 2.93Å; Y194-K196 VanDerWaalsContact O-N 3.09Å; Y194-Y198 HydrophobicContact CD2-CD1 4.32Å; Y194-Y198 HydrophobicContact CD2-CD2 4.46Å; Y194-Y198 AromaticContact CD2-CG 3.92Å; Y194-Y198 HydrophobicContact CD2-CG 3.92Å; Y194-Y198 AromaticContact CE2-CD1 3.84Å; Y194-Y198 HydrophobicContact CE2-CD1 3.84Å; Y194-Y198 AromaticContact CE2-CG 3.92Å; Y194-Y198 HydrophobicContact CE2-CG 3.92Å; Y194-Y198 WeakPolarHBondContact O-CB 3.21Å; Y194-Y198 PolarHBondContact O-N 3.21Å; Y194-A239 HydrophobicContact CD2-CB 4.33Å; Y194-A239 HydrophobicContact CE2-CB 3.55Å; Y194-P240 HydrophobicContact CD1-CG 3.89Å; Y194-P240 HydrophobicContact CD2-CG 4.1Å; Y194-P240 HydrophobicContact CE1-CG 4.49Å; Y194-P240 HydrophobicContact CG-CG 3.68Å; Y194-Q241 PolarHBondContact OH-NE2 2.83Å; Y194-Q241 PolarHBondContact OH-OE1 3.43Å; Y194-Q241 VanDerWaalsContact OH-OE1 3.12Å
195	P	90.4	Very high	93.7	Very high	104 Å²	104	58.6 Å²	58.6	68%	0.675	31%	0.307	S	S	*	.	H	α-helix	trans	-66.1	-12.5	-177.5	-21	34.7	0	0	0	115	D193	D193-P195 WeakPolarHBondContact OD1-CD 3.46Å
196	K	90.7	Very high	93.9	Very high	146 Å²	146	58.8 Å²	58.8	64%	0.635	30%	0.301	S	S	*	.	H	α-helix	trans	-116.1	-32.4	-177.9	-55.4	-167.4	-170.8	85.7	0	113.7	D193 Y194 I202	D193-K196 PolarHBondContact O-N 2.95Å; D193-K196 WeakPolarHBondContact OD2-CD 3.47Å; D193-K196 WeakPolarHBondContact OD2-CG 3.1Å; D193-K196 IonicContact OD2-NZ 3.34Å; D193-K196 PolarHBondContact OD2-NZ 3.17Å; Y194-K196 PolarHBondContact O-N 2.93Å; Y194-K196 VanDerWaalsContact O-N 3.09Å; K196-I202 WeakPolarHBondContact O-CD1 3.34Å
197	D	93.4	Very high	94	Very high	15 Å²	15	54.2 Å²	54.2	8%	0.08	27%	0.273	C	S	.	.	H	α-helix	trans	-111.7	-8.7	-167.4	-72.2	-45.5	0	0	0	114.7	Y179 H190 S191 S192 D193 L199	Y179-D197 WeakPolarHBondContact CE1-O 3.22Å; Y179-D197 VanDerWaalsContact CZ-O 3.3Å; Y179-D197 PolarHBondContact OH-O 3.16Å; H190-D197 VanDerWaalsContact CA-OD1 3.3Å; H190-D197 WeakPolarHBondContact CA-OD1 3.45Å; H190-D197 HydrophobicContact CB-CB 4.33Å; H190-D197 VanDerWaalsContact CB-OD1 3.26Å; H190-D197 WeakPolarHBondContact CB-OD1 3.47Å; H190-D197 IonicContact CG-OD1 3.22Å; H190-D197 IonicContact ND1-OD1 3.92Å; H190-D197 PolarHBondContact ND1-OD1 2.96Å; S191-D197 WeakPolarHBondContact CA-OD2 3.49Å; S191-D197 VanDerWaalsContact CB-OD2 3.23Å; S191-D197 WeakPolarHBondContact CB-OD2 3.36Å; S191-D197 PolarHBondContact N-OD1 3.25Å; S191-D197 PolarHBondContact N-OD2 2.96Å; S192-D197 PolarHBondContact N-OD2 3.35Å; D193-D197 PolarHBondContact N-OD2 2.9Å; D193-D197 WeakPolarHBondContact O-CB 3.34Å; D193-D197 PolarHBondContact O-N 3.43Å; D197-L199 PolarHBondContact O-N 2.93Å; D197-L199 VanDerWaalsContact O-N 3.1Å
198	Y	95	Very high	94.2	Very high	2 Å²	2	47.8 Å²	47.8	1%	0.008	25%	0.25	C	C	.	.			trans	-70.4	111.7	-176.6	-170.7	-121.6	0	0	0	112.2	F176 Y177 Y194 T200 D201 I202 A239 S296	F176-Y198 HydrophobicContact CB-CD2 4.12Å; F176-Y198 HydrophobicContact CB-CE2 3.76Å; F176-Y198 HydrophobicContact CD1-CD2 4.43Å; F176-Y198 AromaticContact CD1-CE2 3.51Å; F176-Y198 HydrophobicContact CD1-CE2 3.51Å; F176-Y198 AromaticContact CD1-CZ 3.78Å; F176-Y198 HydrophobicContact CE1-CE2 4.47Å; F176-Y198 AromaticContact CG-CE2 3.98Å; F176-Y198 HydrophobicContact CG-CE2 3.98Å; Y177-Y198 HydrophobicContact CD1-CD2 4.43Å; Y177-Y198 AromaticContact CE1-CD2 3.64Å; Y177-Y198 HydrophobicContact CE1-CD2 3.64Å; Y177-Y198 HydrophobicContact CE1-CG 4.28Å; Y177-Y198 HydrophobicContact CE2-CD2 4.03Å; Y177-Y198 HydrophobicContact CE2-CE2 4.25Å; Y177-Y198 AromaticContact CZ-CD2 3.41Å; Y177-Y198 VanDerWaalsContact CZ-CD2 3.41Å; Y177-Y198 AromaticContact CZ-CE2 3.99Å; Y177-Y198 VanDerWaalsContact OH-CD2 3.32Å; Y177-Y198 WeakPolarHBondContact OH-CD2 3.29Å; Y194-Y198 HydrophobicContact CD2-CD1 4.32Å; Y194-Y198 HydrophobicContact CD2-CD2 4.46Å; Y194-Y198 AromaticContact CD2-CG 3.92Å; Y194-Y198 HydrophobicContact CD2-CG 3.92Å; Y194-Y198 AromaticContact CE2-CD1 3.84Å; Y194-Y198 HydrophobicContact CE2-CD1 3.84Å; Y194-Y198 AromaticContact CE2-CG 3.92Å; Y194-Y198 HydrophobicContact CE2-CG 3.92Å; Y194-Y198 WeakPolarHBondContact O-CB 3.21Å; Y194-Y198 PolarHBondContact O-N 3.21Å; Y198-T200 VanDerWaalsContact C-N 3.26Å; Y198-T200 PolarHBondContact O-N 2.81Å; Y198-T200 VanDerWaalsContact O-N 3.09Å; Y198-D201 PolarHBondContact O-N 3.13Å; Y198-D201 VanDerWaalsContact O-N 3.08Å; Y198-I202 PolarHBondContact O-N 3.18Å; Y198-A239 HydrophobicContact CD1-CB 4.25Å; Y198-A239 HydrophobicContact CE1-CB 3.78Å; Y198-A239 PolarHBondContact OH-N 2.8Å; Y198-S296 WeakPolarHBondContact CE1-OG 3.23Å; Y198-S296 PolarHBondContact OH-OG 3.23Å
199	L	95.4	Very high	94.3	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-54.8	-38.1	-166.4	179.8	59.1	0	0	0	114	L170 R175 F176 Y179 L181 D197 D201 I202 I203 V230	L170-L199 HydrophobicContact CD1-CD2 3.98Å; L170-L199 HydrophobicContact CD2-CD2 3.92Å; L170-L199 HydrophobicContact CG-CD2 4.47Å; R175-L199 WeakPolarHBondContact O-CD2 3.36Å; F176-L199 PolarHBondContact O-N 2.87Å; Y179-L199 HydrophobicContact CE1-CB 3.86Å; Y179-L199 HydrophobicContact CE2-CB 4.49Å; Y179-L199 HydrophobicContact CE2-CD1 3.76Å; Y179-L199 WeakPolarHBondContact OH-CA 3.24Å; L181-L199 HydrophobicContact CD2-CD1 3.86Å; D197-L199 PolarHBondContact O-N 2.93Å; D197-L199 VanDerWaalsContact O-N 3.1Å; L199-D201 PolarHBondContact O-N 3.37Å; L199-I202 PolarHBondContact O-N 2.97Å; L199-I203 HydrophobicContact CD1-CD1 3.85Å; L199-I203 HydrophobicContact CD1-CG1 3.96Å; L199-I203 HydrophobicContact CD2-CD1 4.33Å; L199-I203 HydrophobicContact CG-CD1 3.72Å; L199-I203 HydrophobicContact CG-CG1 4.29Å; L199-I203 WeakPolarHBondContact O-CB 3.03Å; L199-I203 VanDerWaalsContact O-CG1 3.28Å; L199-I203 WeakPolarHBondContact O-CG1 3.42Å; L199-I203 PolarHBondContact O-N 2.97Å; L199-V230 HydrophobicContact CD2-CB 4.5Å; L199-V230 HydrophobicContact CD2-CG1 3.77Å; L199-V230 HydrophobicContact CD2-CG2 3.88Å
200	T	96.1	Very high	94.5	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-63.4	-41	-178.5	-60.4	0	0	0	0	112.2	Y198 T204 S296 V297	Y198-T200 VanDerWaalsContact C-N 3.26Å; Y198-T200 PolarHBondContact O-N 2.81Å; Y198-T200 VanDerWaalsContact O-N 3.09Å; T200-T204 WeakPolarHBondContact O-CB 3.21Å; T200-T204 PolarHBondContact O-N 2.8Å; T200-T204 VanDerWaalsContact O-N 3.1Å; T200-T204 PolarHBondContact O-OG1 2.98Å; T200-S296 WeakPolarHBondContact CG2-O 3.25Å; T200-V297 HydrophobicContact CG2-CG2 4.37Å
201	D	96.2	Very high	94.7	Very high	26 Å²	26	40 Å²	40	14%	0.139	22%	0.218	C	C	.	.	H	α-helix	trans	-75.3	-35.8	177.2	-79.7	-66.3	0	0	0	112	Y198 L199 T204 N205 K303	Y198-D201 PolarHBondContact O-N 3.13Å; Y198-D201 VanDerWaalsContact O-N 3.08Å; L199-D201 PolarHBondContact O-N 3.37Å; D201-T204 PolarHBondContact O-N 2.96Å; D201-N205 VanDerWaalsContact O-CB 3.27Å; D201-N205 WeakPolarHBondContact O-CB 3.21Å; D201-N205 PolarHBondContact O-N 2.85Å; D201-N205 PolarHBondContact O-ND2 3.07Å; D201-K303 IonicContact OD1-NZ 3.68Å; D201-K303 PolarHBondContact OD1-NZ 3.25Å
202	I	95.7	Very high	94.9	Very high	24 Å²	24	41.6 Å²	41.6	12%	0.123	21%	0.213	C	C	.	.	H	α-helix	trans	-60.6	-47.6	173.3	-58.6	-172.2	0	0	0	111.1	Y179 L181 H190 K196 Y198 L199 T204 N206	Y179-I202 VanDerWaalsContact OH-CD1 3.24Å; Y179-I202 WeakPolarHBondContact OH-CD1 3.38Å; L181-I202 HydrophobicContact CD1-CG2 4.2Å; H190-I202 VanDerWaalsContact CE1-CD1 3.45Å; H190-I202 WeakPolarHBondContact CE1-CD1 3.36Å; K196-I202 WeakPolarHBondContact O-CD1 3.34Å; Y198-I202 PolarHBondContact O-N 3.18Å; L199-I202 PolarHBondContact O-N 2.97Å; I202-T204 VanDerWaalsContact C-N 3.33Å; I202-T204 PolarHBondContact O-N 2.99Å; I202-N206 VanDerWaalsContact CG2-ND2 3.32Å; I202-N206 WeakPolarHBondContact CG2-ND2 3.47Å; I202-N206 VanDerWaalsContact O-CB 3.26Å; I202-N206 WeakPolarHBondContact O-CB 3.38Å; I202-N206 PolarHBondContact O-N 3.28Å; I202-N206 PolarHBondContact O-ND2 3.05Å
203	I	95.7	Very high	95.3	Very high	2 Å²	2	43.1 Å²	43.1	1%	0.01	21%	0.213	C	C	.	.	H	α-helix	trans	-54.7	-51.2	174.9	-74.9	168.6	0	0	0	110.1	F148 G149 L199 S207 L227	F148-I203 HydrophobicContact CB-CB 4.43Å; F148-I203 HydrophobicContact CB-CG1 4.44Å; F148-I203 HydrophobicContact CB-CG2 3.86Å; G149-I203 VanDerWaalsContact CA-CD1 3.45Å; L199-I203 HydrophobicContact CD1-CD1 3.85Å; L199-I203 HydrophobicContact CD1-CG1 3.96Å; L199-I203 HydrophobicContact CD2-CD1 4.33Å; L199-I203 HydrophobicContact CG-CD1 3.72Å; L199-I203 HydrophobicContact CG-CG1 4.29Å; L199-I203 WeakPolarHBondContact O-CB 3.03Å; L199-I203 VanDerWaalsContact O-CG1 3.28Å; L199-I203 WeakPolarHBondContact O-CG1 3.42Å; L199-I203 PolarHBondContact O-N 2.97Å; I203-S207 VanDerWaalsContact O-CB 3.27Å; I203-S207 WeakPolarHBondContact O-CB 3.37Å; I203-S207 PolarHBondContact O-N 2.91Å; I203-S207 PolarHBondContact O-OG 2.86Å; I203-L227 HydrophobicContact CG2-CB 4.33Å; I203-L227 HydrophobicContact CG2-CG 4.34Å
204	T	97.6	Very high	95.6	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-62.1	-53.3	-176.5	-55.2	0	0	0	0	111.4	T200 D201 I202 N206 S207 I208 S300 K303	T200-T204 WeakPolarHBondContact O-CB 3.21Å; T200-T204 PolarHBondContact O-N 2.8Å; T200-T204 VanDerWaalsContact O-N 3.1Å; T200-T204 PolarHBondContact O-OG1 2.98Å; D201-T204 PolarHBondContact O-N 2.96Å; I202-T204 VanDerWaalsContact C-N 3.33Å; I202-T204 PolarHBondContact O-N 2.99Å; T204-N206 PolarHBondContact O-N 3.28Å; T204-S207 PolarHBondContact O-N 2.97Å; T204-S207 PolarHBondContact O-OG 3.26Å; T204-I208 HydrophobicContact CG2-CD1 3.91Å; T204-I208 WeakPolarHBondContact O-CG1 3.48Å; T204-I208 PolarHBondContact O-N 2.92Å; T204-S300 WeakPolarHBondContact CG2-OG 3.23Å; T204-S300 VanDerWaalsContact OG1-CB 3.3Å; T204-S300 WeakPolarHBondContact OG1-CB 3.05Å; T204-S300 PolarHBondContact OG1-OG 2.99Å; T204-K303 HydrophobicContact CG2-CB 3.92Å; T204-K303 HydrophobicContact CG2-CD 3.79Å
205	N	97.2	Very high	95.8	Very high	76 Å²	76	38 Å²	38	41%	0.406	19%	0.188	S	C	.	.	H	α-helix	trans	-66.2	-42.2	-174.7	-66.4	-20.2	0	0	0	111.4	D201 S207 I208 N209	D201-N205 VanDerWaalsContact O-CB 3.27Å; D201-N205 WeakPolarHBondContact O-CB 3.21Å; D201-N205 PolarHBondContact O-N 2.85Å; D201-N205 PolarHBondContact O-ND2 3.07Å; N205-S207 VanDerWaalsContact C-N 3.35Å; N205-S207 PolarHBondContact O-N 3.03Å; N205-I208 PolarHBondContact O-N 2.9Å; N205-N209 WeakPolarHBondContact O-CB 3.3Å; N205-N209 PolarHBondContact O-N 2.94Å; N205-N209 PolarHBondContact O-ND2 2.94Å
206	N	96.4	Very high	96	Very high	35 Å²	35	43.2 Å²	43.2	19%	0.187	20%	0.195	C	C	.	.	H	α-helix	trans	-64.5	-38.5	174.5	-74.9	-26.3	0	0	0	112.2	F148 I202 T204 Y210	F148-N206 HydrophobicContact CD1-CB 3.97Å; F148-N206 HydrophobicContact CE1-CB 3.88Å; I202-N206 VanDerWaalsContact CG2-ND2 3.32Å; I202-N206 WeakPolarHBondContact CG2-ND2 3.47Å; I202-N206 VanDerWaalsContact O-CB 3.26Å; I202-N206 WeakPolarHBondContact O-CB 3.38Å; I202-N206 PolarHBondContact O-N 3.28Å; I202-N206 PolarHBondContact O-ND2 3.05Å; T204-N206 PolarHBondContact O-N 3.28Å; N206-Y210 WeakPolarHBondContact O-CB 3.47Å; N206-Y210 PolarHBondContact O-N 2.89Å
207	S	97.6	Very high	96.2	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-64.6	-42.8	176.8	83.1	0	0	0	0	112.4	I203 T204 N205 Y210 F211 M225	I203-S207 VanDerWaalsContact O-CB 3.27Å; I203-S207 WeakPolarHBondContact O-CB 3.37Å; I203-S207 PolarHBondContact O-N 2.91Å; I203-S207 PolarHBondContact O-OG 2.86Å; T204-S207 PolarHBondContact O-N 2.97Å; T204-S207 PolarHBondContact O-OG 3.26Å; N205-S207 VanDerWaalsContact C-N 3.35Å; N205-S207 PolarHBondContact O-N 3.03Å; S207-Y210 PolarHBondContact O-N 3.07Å; S207-F211 PolarHBondContact O-N 3.1Å; S207-M225 WeakPolarHBondContact O-CE 3.2Å
208	I	98.2	Very high	96.2	Very high	14 Å²	14	44.7 Å²	44.7	7%	0.072	20%	0.202	C	C	.	.	H	α-helix	trans	-65.9	-44.3	178.8	-76.8	169.3	0	0	0	110.4	T204 N205 F211 R212 K303 V304 M307	T204-I208 HydrophobicContact CG2-CD1 3.91Å; T204-I208 WeakPolarHBondContact O-CG1 3.48Å; T204-I208 PolarHBondContact O-N 2.92Å; N205-I208 PolarHBondContact O-N 2.9Å; I208-F211 PolarHBondContact O-N 3.06Å; I208-R212 WeakPolarHBondContact O-CB 3.46Å; I208-R212 WeakPolarHBondContact O-CG 3.34Å; I208-R212 PolarHBondContact O-N 3.05Å; I208-K303 HydrophobicContact CD1-CB 3.72Å; I208-V304 HydrophobicContact CD1-CG2 4.48Å; I208-V304 HydrophobicContact CG1-CG2 4.34Å; I208-M307 HydrophobicContact CB-CG 4.46Å; I208-M307 HydrophobicContact CG1-CB 4.25Å; I208-M307 HydrophobicContact CG1-CG 4.23Å; I208-M307 HydrophobicContact CG2-CB 4.45Å; I208-M307 HydrophobicContact CG2-CG 3.98Å
209	N	97.4	Very high	95.9	Very high	91 Å²	91	47.9 Å²	47.9	49%	0.487	22%	0.223	S	C	.	.	H	α-helix	trans	-63	-41.6	176	-71.7	-21.6	0	0	0	111.6	N205 M213	N205-N209 WeakPolarHBondContact O-CB 3.3Å; N205-N209 PolarHBondContact O-N 2.94Å; N205-N209 PolarHBondContact O-ND2 2.94Å; N209-M213 WeakPolarHBondContact O-CB 3.32Å; N209-M213 PolarHBondContact O-N 3.45Å
210	Y	97.3	Very high	95.6	Very high	22 Å²	22	56 Å²	56	9%	0.086	26%	0.261	C	S	.	.	H	α-helix	trans	-62.6	-46.6	174.9	-178.4	-91.6	0	0	0	112.2	R144 A146 F148 E166 N206 S207 M213 S214 V223 M225	R144-Y210 PolarHBondContact NH2-OH 2.89Å; A146-Y210 HydrophobicContact CB-CD1 3.73Å; A146-Y210 HydrophobicContact CB-CD2 4.41Å; A146-Y210 HydrophobicContact CB-CE1 3.52Å; A146-Y210 HydrophobicContact CB-CE2 4.23Å; A146-Y210 HydrophobicContact CB-CG 4.17Å; F148-Y210 HydrophobicContact CZ-CG 4.11Å; E166-Y210 HydrophobicContact CB-CD2 3.51Å; E166-Y210 HydrophobicContact CB-CE2 3.35Å; E166-Y210 HydrophobicContact CB-CG 4.41Å; E166-Y210 HydrophobicContact CG-CD2 3.8Å; E166-Y210 HydrophobicContact CG-CE2 4.18Å; N206-Y210 WeakPolarHBondContact O-CB 3.47Å; N206-Y210 PolarHBondContact O-N 2.89Å; S207-Y210 PolarHBondContact O-N 3.07Å; Y210-M213 PolarHBondContact O-N 3.05Å; Y210-S214 WeakPolarHBondContact O-CA 3.41Å; Y210-S214 WeakPolarHBondContact O-CB 3.43Å; Y210-S214 PolarHBondContact O-N 2.8Å; Y210-V223 HydrophobicContact CE1-CG1 4.18Å; Y210-M225 HydrophobicContact CD1-CG 4.24Å; Y210-M225 HydrophobicContact CD1-SD 4.01Å
211	F	97.6	Very high	95.4	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-61.6	-51.5	179.9	-169.2	-82.8	0	0	0	111.4	N52 I54 S207 I208 M213 S214 K215 V223 M225 M307 L308 E313	N52-F211 HydrophobicContact CB-CE2 4.29Å; I54-F211 HydrophobicContact CD1-CD2 4.27Å; I54-F211 HydrophobicContact CD1-CE2 4.28Å; S207-F211 PolarHBondContact O-N 3.1Å; I208-F211 PolarHBondContact O-N 3.06Å; F211-M213 PolarHBondContact O-N 2.85Å; F211-S214 WeakPolarHBondContact O-CB 3.47Å; F211-S214 PolarHBondContact O-N 2.69Å; F211-K215 HydrophobicContact CD1-CG 4Å; F211-K215 HydrophobicContact CE1-CG 3.67Å; F211-K215 HydrophobicContact CZ-CG 4.1Å; F211-K215 PolarHBondContact O-N 3.14Å; F211-V223 HydrophobicContact CD2-CB 4.17Å; F211-V223 HydrophobicContact CD2-CG1 3.95Å; F211-V223 HydrophobicContact CD2-CG2 4.41Å; F211-V223 HydrophobicContact CE2-CB 4.1Å; F211-V223 HydrophobicContact CE2-CG1 4.36Å; F211-V223 HydrophobicContact CE2-CG2 4.41Å; F211-M225 HydrophobicContact CB-CE 4.11Å; F211-M225 HydrophobicContact CB-SD 3.78Å; F211-M225 HydrophobicContact CD2-SD 3.67Å; F211-M225 HydrophobicContact CG-SD 4.23Å; F211-M307 HydrophobicContact CB-CE 3.86Å; F211-M307 HydrophobicContact CB-SD 3.95Å; F211-M307 HydrophobicContact CD1-CE 3.85Å; F211-M307 HydrophobicContact CD1-SD 3.21Å; F211-M307 WeakPolarHBondContact CD1-SD 3.33Å; F211-M307 HydrophobicContact CD2-CE 4.18Å; F211-M307 HydrophobicContact CE1-CE 4.41Å; F211-M307 HydrophobicContact CE1-SD 3.78Å; F211-M307 HydrophobicContact CG-CE 3.7Å; F211-M307 HydrophobicContact CG-SD 3.69Å; F211-L308 HydrophobicContact CE1-CD2 3.99Å; F211-L308 HydrophobicContact CE2-CD2 3.94Å; F211-L308 HydrophobicContact CZ-CD2 3.56Å; F211-E313 HydrophobicContact CE1-CB 4.04Å; F211-E313 HydrophobicContact CE1-CG 4.1Å; F211-E313 HydrophobicContact CZ-CB 3.79Å; F211-E313 HydrophobicContact CZ-CG 4.04Å
212	R	97.1	Very high	95.4	Very high	108 Å²	108	61.5 Å²	61.5	41%	0.408	28%	0.281	S	S	.	.	H	α-helix	trans	-57.7	-45.9	178.7	-72.8	175.5	172.7	165.9	-4.2	111.5	I208 R216 M307 E310 T311	I208-R212 WeakPolarHBondContact O-CB 3.46Å; I208-R212 WeakPolarHBondContact O-CG 3.34Å; I208-R212 PolarHBondContact O-N 3.05Å; R212-R216 WeakPolarHBondContact O-CB 3.16Å; R212-R216 PolarHBondContact O-N 2.93Å; R212-M307 HydrophobicContact CG-CG 4.17Å; R212-E310 IonicContact CZ-OE2 2.67Å; R212-E310 IonicContact NE-OE2 3.21Å; R212-E310 IonicContact NH2-OE2 3.85Å; R212-E310 PolarHBondContact NH2-OE2 2.04Å; R212-T311 HydrophobicContact CG-CG2 4.29Å
213	M	96.4	Very high	95.5	Very high	108 Å²	108	60.4 Å²	60.4	53%	0.532	28%	0.276	S	S	.	.	H	α-helix	trans	-66.4	-42.6	177	-171.3	62.7	75.1	0	0	112.1	N209 Y210 F211 K215 R216 I217	N209-M213 WeakPolarHBondContact O-CB 3.32Å; N209-M213 PolarHBondContact O-N 3.45Å; Y210-M213 PolarHBondContact O-N 3.05Å; F211-M213 PolarHBondContact O-N 2.85Å; M213-K215 PolarHBondContact O-N 3.08Å; M213-R216 PolarHBondContact O-N 3.14Å; M213-I217 HydrophobicContact CG-CD1 3.85Å; M213-I217 WeakPolarHBondContact O-CG1 3.26Å; M213-I217 PolarHBondContact O-N 2.98Å; M213-I217 HydrophobicContact SD-CD1 3.76Å; M213-I217 HydrophobicContact SD-CG1 4.16Å
214	S	95.6	Very high	95.6	Very high	1 Å²	1	60.3 Å²	60.3	1%	0.007	28%	0.275	C	S	.	.	H	α-helix	trans	-59.9	-44.5	178.8	-177.4	0	0	0	0	111.7	R144 Y210 F211 Y218 V223	R144-S214 VanDerWaalsContact CD-OG 3.29Å; R144-S214 WeakPolarHBondContact CD-OG 3.48Å; R144-S214 PolarHBondContact NE-OG 3.11Å; Y210-S214 WeakPolarHBondContact O-CA 3.41Å; Y210-S214 WeakPolarHBondContact O-CB 3.43Å; Y210-S214 PolarHBondContact O-N 2.8Å; F211-S214 WeakPolarHBondContact O-CB 3.47Å; F211-S214 PolarHBondContact O-N 2.69Å; S214-Y218 WeakPolarHBondContact O-CA 3.32Å; S214-Y218 PolarHBondContact O-N 3.44Å; S214-V223 WeakPolarHBondContact OG-CG2 3.47Å
215	K	93.8	Very high	95.6	Very high	23 Å²	23	60.3 Å²	60.3	10%	0.1	28%	0.275	C	S	.	.	H	α-helix	trans	-73.1	-34	176.6	-71.4	-68.5	-178.4	170.9	0	113.1	N52 F211 M213 P219 E313	N52-K215 WeakPolarHBondContact OD1-CE 3.42Å; N52-K215 PolarHBondContact OD1-NZ 3.45Å; F211-K215 HydrophobicContact CD1-CG 4Å; F211-K215 HydrophobicContact CE1-CG 3.67Å; F211-K215 HydrophobicContact CZ-CG 4.1Å; F211-K215 PolarHBondContact O-N 3.14Å; M213-K215 PolarHBondContact O-N 3.08Å; K215-P219 VanDerWaalsContact O-CA 3.29Å; K215-P219 WeakPolarHBondContact O-CA 3.31Å; K215-P219 WeakPolarHBondContact O-CD 3.48Å; K215-P219 WeakPolarHBondContact O-CG 3.09Å; K215-E313 HydrophobicContact CD-CG 4.3Å; K215-E313 WeakPolarHBondContact CD-OE1 3.21Å; K215-E313 VanDerWaalsContact CE-CD 3.43Å; K215-E313 WeakPolarHBondContact CE-OE1 3.49Å; K215-E313 IonicContact NZ-OE1 2.7Å; K215-E313 PolarHBondContact NZ-OE1 2.72Å; K215-E313 IonicContact NZ-OE2 3.62Å; K215-E313 PolarHBondContact NZ-OE2 3.22Å
216	R	94.7	Very high	95.6	Very high	214 Å²	214	56.8 Å²	56.8	81%	0.808	26%	0.257	S	S	*	.	H	α-helix	trans	-63.9	-40.2	174.1	-175.5	175.9	178.9	173.9	0.3	112.9	R212 M213	R212-R216 WeakPolarHBondContact O-CB 3.16Å; R212-R216 PolarHBondContact O-N 2.93Å; M213-R216 PolarHBondContact O-N 3.14Å
217	I	95	Very high	95.7	Very high	96 Å²	96	55.1 Å²	55.1	49%	0.492	25%	0.248	S	C	.	.	H	α-helix	trans	-87.5	-34.6	-178.7	-56.2	172.5	0	0	0	111.7	M213	M213-I217 HydrophobicContact CG-CD1 3.85Å; M213-I217 WeakPolarHBondContact O-CG1 3.26Å; M213-I217 PolarHBondContact O-N 2.98Å; M213-I217 HydrophobicContact SD-CD1 3.76Å; M213-I217 HydrophobicContact SD-CG1 4.16Å
218	Y	93.5	Very high	95.8	Very high	96 Å²	96	55.1 Å²	55.1	38%	0.376	25%	0.248	S	C	.	.			trans	-133.3	68.8	-176	-52.8	-80.9	0	0	0	112.4	R144 S214 H220 R221	R144-Y218 VanDerWaalsContact CD-CD2 3.48Å; S214-Y218 WeakPolarHBondContact O-CA 3.32Å; S214-Y218 PolarHBondContact O-N 3.44Å; Y218-H220 VanDerWaalsContact C-N 3.28Å; Y218-H220 PolarHBondContact O-N 3.15Å; Y218-H220 VanDerWaalsContact O-N 3.13Å; Y218-R221 PolarHBondContact O-N 2.72Å
219	P	89.8	Confident	95.7	Very high	70 Å²	70	54.5 Å²	54.5	46%	0.455	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.2	-44.2	-173	-27.5	33.2	0	0	0	114.1	K215	K215-P219 VanDerWaalsContact O-CA 3.29Å; K215-P219 WeakPolarHBondContact O-CA 3.31Å; K215-P219 WeakPolarHBondContact O-CD 3.48Å; K215-P219 WeakPolarHBondContact O-CG 3.09Å
220	H	88.7	Confident	95.6	Very high	171 Å²	171	50.1 Å²	50.1	79%	0.792	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-4.1	-176.5	-52.7	-50.6	0	0	0	114.9	Y218	Y218-H220 VanDerWaalsContact C-N 3.28Å; Y218-H220 PolarHBondContact O-N 3.15Å; Y218-H220 VanDerWaalsContact O-N 3.13Å
221	R	91.9	Very high	95.5	Very high	127 Å²	127	49.1 Å²	49.1	48%	0.479	22%	0.217	S	C	.	.	S	Bend	trans	-85.7	130.5	175	-70.8	-168.9	-178.4	-128.6	4.9	110	R144 Y218	R144-R221 HydrophobicContact CG-CB 4.33Å; Y218-R221 PolarHBondContact O-N 2.72Å
222	P	95.9	Very high	95.4	Very high	14 Å²	14	49.1 Å²	49.1	9%	0.091	22%	0.217	C	C	.	.			trans	-73.5	149.1	176	34.3	-37.7	0	0	0	110.4	R50 Y143 R144	R50-P222 HydrophobicContact CB-CB 4.22Å; R50-P222 HydrophobicContact CB-CG 4.07Å; Y143-P222 HydrophobicContact CD1-CB 3.88Å; Y143-P222 HydrophobicContact CD1-CG 3.87Å; Y143-P222 HydrophobicContact CD2-CG 3.71Å; Y143-P222 HydrophobicContact CE1-CB 3.5Å; Y143-P222 HydrophobicContact CE1-CG 3.77Å; Y143-P222 HydrophobicContact CE2-CB 4.18Å; Y143-P222 HydrophobicContact CE2-CG 3.58Å; Y143-P222 HydrophobicContact CG-CB 4.37Å; Y143-P222 HydrophobicContact CG-CG 3.84Å; R144-P222 PolarHBondContact N-O 2.9Å
223	V	97.4	Very high	95.2	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	135.5	-178.4	178.7	0	0	0	0	110.1	N52 I53 R144 Y210 F211 S214 M225	N52-V223 CarbonylContact C-O 3.52Å; N52-V223 VanDerWaalsContact CA-O 3.27Å; N52-V223 WeakPolarHBondContact CA-O 3.22Å; N52-V223 HydrophobicContact CB-CB 4.42Å; N52-V223 WeakPolarHBondContact CB-O 3.36Å; N52-V223 PolarHBondContact OD1-N 3.14Å; N52-V223 VanDerWaalsContact OD1-N 3.15Å; I53-V223 PolarHBondContact N-O 3Å; R144-V223 WeakPolarHBondContact O-CA 3.38Å; Y210-V223 HydrophobicContact CE1-CG1 4.18Å; F211-V223 HydrophobicContact CD2-CB 4.17Å; F211-V223 HydrophobicContact CD2-CG1 3.95Å; F211-V223 HydrophobicContact CD2-CG2 4.41Å; F211-V223 HydrophobicContact CE2-CB 4.1Å; F211-V223 HydrophobicContact CE2-CG1 4.36Å; F211-V223 HydrophobicContact CE2-CG2 4.41Å; S214-V223 WeakPolarHBondContact OG-CG2 3.47Å; V223-M225 HydrophobicContact CG1-CG 3.67Å; V223-M225 HydrophobicContact CG1-SD 3.49Å; V223-M225 WeakPolarHBondContact CG1-SD 3.26Å
224	L	98	Very high	94.6	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	124	165.3	171.1	72.2	0	0	0	107.8	I53 F134 L138 Y143 R144 T145 A146 W164 M376	I53-L224 HydrophobicContact CB-CD1 3.9Å; I53-L224 HydrophobicContact CG2-CD1 3.87Å; I53-L224 CarbonylContact O-C 3.54Å; I53-L224 VanDerWaalsContact O-CA 3.29Å; I53-L224 WeakPolarHBondContact O-CA 3.1Å; F134-L224 HydrophobicContact CD2-CD2 4.26Å; F134-L224 HydrophobicContact CE2-CD2 4.18Å; L138-L224 HydrophobicContact CB-CD2 4.04Å; L138-L224 HydrophobicContact CD1-CD1 3.9Å; L138-L224 HydrophobicContact CD1-CD2 3.6Å; L138-L224 HydrophobicContact CD1-CG 4.25Å; L138-L224 HydrophobicContact CG-CD2 4.46Å; Y143-L224 HydrophobicContact CD1-CB 3.96Å; R144-L224 PolarHBondContact O-N 3.15Å; T145-L224 CarbonylContact C-O 3.6Å; T145-L224 WeakPolarHBondContact CA-O 3.15Å; T145-L224 HydrophobicContact CG2-CB 4.09Å; T145-L224 HydrophobicContact CG2-CD2 3.73Å; T145-L224 HydrophobicContact CG2-CG 4.48Å; A146-L224 PolarHBondContact N-O 2.67Å; W164-L224 HydrophobicContact CZ3-CD2 4.24Å; L224-M376 HydrophobicContact CD1-SD 4.36Å
225	M	97.9	Very high	94.2	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	136	175.4	-78.7	160.6	57.7	0	0	111.3	I53 I54 L55 A146 F148 S207 Y210 F211 V223 L227	I53-M225 PolarHBondContact O-N 3.28Å; I54-M225 WeakPolarHBondContact CA-O 3.44Å; I54-M225 HydrophobicContact CG1-CB 4.35Å; I54-M225 HydrophobicContact CG2-CB 4.48Å; L55-M225 PolarHBondContact N-O 2.87Å; A146-M225 HydrophobicContact CB-CG 4.1Å; A146-M225 WeakPolarHBondContact O-CA 3.46Å; F148-M225 HydrophobicContact CE2-CE 4.4Å; F148-M225 HydrophobicContact CE2-CG 4.3Å; S207-M225 WeakPolarHBondContact O-CE 3.2Å; Y210-M225 HydrophobicContact CD1-CG 4.24Å; Y210-M225 HydrophobicContact CD1-SD 4.01Å; F211-M225 HydrophobicContact CB-CE 4.11Å; F211-M225 HydrophobicContact CB-SD 3.78Å; F211-M225 HydrophobicContact CD2-SD 3.67Å; F211-M225 HydrophobicContact CG-SD 4.23Å; V223-M225 HydrophobicContact CG1-CG 3.67Å; V223-M225 HydrophobicContact CG1-SD 3.49Å; V223-M225 WeakPolarHBondContact CG1-SD 3.26Å; M225-L227 HydrophobicContact CB-CD1 4.19Å; M225-L227 HydrophobicContact CE-CD1 4.15Å
226	V	98.6	Very high	94	Very high	3 Å²	3	41.3 Å²	41.3	2%	0.018	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	116.4	170.2	-174.7	0	0	0	0	109.1	L55 F134 A146 F147 F148 W164	L55-V226 HydrophobicContact CB-CG2 4.31Å; L55-V226 HydrophobicContact CD2-CG1 4.28Å; L55-V226 HydrophobicContact CD2-CG2 4.43Å; L55-V226 HydrophobicContact CG-CG1 4.43Å; L55-V226 CarbonylContact O-C 3.51Å; L55-V226 WeakPolarHBondContact O-CA 3.28Å; F134-V226 HydrophobicContact CE2-CG2 4.18Å; F134-V226 HydrophobicContact CZ-CG2 4.11Å; A146-V226 PolarHBondContact O-N 2.9Å; F147-V226 HydrophobicContact CD2-CB 3.7Å; F147-V226 HydrophobicContact CD2-CG1 3.94Å; F147-V226 HydrophobicContact CD2-CG2 4.33Å; F147-V226 HydrophobicContact CE2-CB 3.97Å; F147-V226 HydrophobicContact CE2-CG1 3.65Å; F148-V226 PolarHBondContact N-O 3.03Å; W164-V226 HydrophobicContact CH2-CB 4.38Å; W164-V226 HydrophobicContact CH2-CG2 3.68Å; W164-V226 HydrophobicContact CZ3-CG2 4.12Å
227	L	98.5	Very high	93.8	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	92.1	172.7	-75.5	70.1	0	0	0	107.7	I54 L55 I56 L57 I203 M225 H229 V304	I54-L227 HydrophobicContact CG2-CD1 4.01Å; L55-L227 PolarHBondContact O-N 3.21Å; I56-L227 HydrophobicContact CG1-CB 4.37Å; I56-L227 HydrophobicContact CG1-CD2 4.47Å; L57-L227 PolarHBondContact N-O 3.39Å; I203-L227 HydrophobicContact CG2-CB 4.33Å; I203-L227 HydrophobicContact CG2-CG 4.34Å; M225-L227 HydrophobicContact CB-CD1 4.19Å; M225-L227 HydrophobicContact CE-CD1 4.15Å; L227-H229 PolarHBondContact O-N 3.41Å; L227-V304 HydrophobicContact CD2-CG2 3.72Å
228	S	97.8	Very high	93.6	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	85.8	177.9	-177.4	0	0	0	0	111.3	L57 R99 F148 G149 K150	L57-S228 CarbonylContact O-C 3.55Å; L57-S228 WeakPolarHBondContact O-CA 3.42Å; R99-S228 PolarHBondContact NH1-OG 3.13Å; F148-S228 PolarHBondContact O-N 2.91Å; G149-S228 CarbonylContact C-O 3.51Å; G149-S228 WeakPolarHBondContact CA-O 3.4Å; K150-S228 PolarHBondContact N-O 2.98Å; K150-S228 WeakPolarHBondContact O-CB 3.27Å; K150-S228 PolarHBondContact O-OG 3.1Å
229	H	97.3	Very high	93.5	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.111	C	C	.	.			trans	-62.4	158.3	173.2	-62	-78.4	0	0	0	112	L57 L227 V297 S300	L57-H229 PolarHBondContact O-N 3.02Å; L227-H229 PolarHBondContact O-N 3.41Å; H229-V297 HydrophobicContact CB-CG2 4.03Å; H229-S300 PolarHBondContact CE1-OG 3.41Å; H229-S300 VanDerWaalsContact CE1-OG 3.23Å; H229-S300 PolarHBondContact NE2-OG 3.33Å
230	V	95.1	Very high	93.6	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.11	C	C	.	.			trans	-97.5	-9.4	175	-66.4	0	0	0	0	113.3	K150 L170 F176 L199 H233	K150-V230 HydrophobicContact CB-CG1 4.08Å; L170-V230 HydrophobicContact CD2-CG1 3.77Å; F176-V230 HydrophobicContact CD1-CG2 3.97Å; F176-V230 HydrophobicContact CE1-CG2 3.78Å; F176-V230 HydrophobicContact CE2-CG2 4.35Å; F176-V230 HydrophobicContact CG-CG2 4.36Å; F176-V230 HydrophobicContact CZ-CG2 3.98Å; L199-V230 HydrophobicContact CD2-CB 4.5Å; L199-V230 HydrophobicContact CD2-CG1 3.77Å; L199-V230 HydrophobicContact CD2-CG2 3.88Å; V230-H233 WeakPolarHBondContact O-CB 3.33Å; V230-H233 PolarHBondContact O-N 2.76Å
231	A	95.1	Very high	93.8	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	146.1	176.2	0	0	0	0	0	110.7	T58 D59 F176 L294 V297	T58-A231 WeakPolarHBondContact CB-O 3.43Å; D59-A231 PolarHBondContact N-O 3.01Å; D59-A231 CarbonylContact O-C 3.51Å; F176-A231 HydrophobicContact CE1-CB 3.99Å; F176-A231 HydrophobicContact CZ-CB 3.86Å; A231-L294 HydrophobicContact CB-CD2 4.37Å; A231-V297 HydrophobicContact CB-CG2 3.8Å
232	P	94.9	Very high	93.9	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	cis	-96	36.8	-5	35.4	-31.3	0	0	0	115.1	D59 Q61 R290 L294	D59-P232 WeakPolarHBondContact O-CD 3.23Å; D59-P232 VanDerWaalsContact O-N 3.08Å; Q61-P232 HydrophobicContact CB-CG 4.05Å; Q61-P232 HydrophobicContact CG-CG 4.33Å; P232-R290 HydrophobicContact CB-CB 3.87Å; P232-R290 HydrophobicContact CB-CG 4.03Å; P232-R290 PolarHBondContact O-NH1 2.65Å; P232-L294 HydrophobicContact CB-CD2 4.26Å; P232-L294 HydrophobicContact CB-CG 4.1Å; P232-L294 HydrophobicContact CG-CD1 4.3Å; P232-L294 HydrophobicContact CG-CD2 4.06Å; P232-L294 HydrophobicContact CG-CG 4.19Å
233	H	92.6	Very high	93.7	Very high	36 Å²	36	15.8 Å²	15.8	17%	0.167	9%	0.09	C	C	.	.	S	Bend	trans	-70.6	141	174.5	-171.3	-61.9	0	0	0	111.9	D59 D60 F176 V230 K338	D59-H233 HydrophobicContact CB-CB 4.06Å; D59-H233 PolarHBondContact O-N 3.33Å; D59-H233 VanDerWaalsContact OD1-CB 3.25Å; D59-H233 WeakPolarHBondContact OD1-CB 3.44Å; D59-H233 IonicContact OD1-CD2 3.47Å; D59-H233 PolarHBondContact OD1-CD2 2.89Å; D59-H233 IonicContact OD1-CG 3.66Å; D60-H233 HydrophobicContact CB-CB 4.19Å; D60-H233 IonicContact OD1-CD2 2.83Å; D60-H233 PolarHBondContact OD1-CD2 3.43Å; D60-H233 VanDerWaalsContact OD1-CD2 3.23Å; D60-H233 IonicContact OD2-CD2 2.93Å; D60-H233 PolarHBondContact OD2-CD2 3.1Å; D60-H233 IonicContact OD2-CG 2.71Å; D60-H233 IonicContact OD2-NE2 3.27Å; F176-H233 WeakPolarHBondContact CE2-O 3.12Å; V230-H233 WeakPolarHBondContact O-CB 3.33Å; V230-H233 PolarHBondContact O-N 2.76Å; H233-K338 PolarHBondContact CD2-NZ 2.74Å; H233-K338 VanDerWaalsContact CD2-NZ 3.3Å; H233-K338 PolarHBondContact NE2-NZ 3.15Å; H233-K338 VanDerWaalsContact NE2-NZ 3.19Å
234	G	84.3	Confident	93.3	Very high	14 Å²	14	19.9 Å²	19.9	14%	0.144	12%	0.123	C	C	.	.	S	Bend	trans	-70.3	158.8	-179.8	0	0	0	0	0	115.9	E236	G234-E236 VanDerWaalsContact CA-CD 3.44Å; G234-E236 WeakPolarHBondContact CA-OE1 3.45Å
235	P	87.3	Confident	93	Very high	25 Å²	25	21.1 Å²	21.1	16%	0.162	13%	0.134	C	C	.	.	S	Bend	cis	-69.9	136.7	0.5	30.6	-35.7	0	0	0	111.3	F176 D237	F176-P235 WeakPolarHBondContact CD2-O 3.34Å; F176-P235 VanDerWaalsContact CE2-O 3.26Å; F176-P235 WeakPolarHBondContact CE2-O 3.4Å; P235-D237 PolarHBondContact O-N 3.45Å
236	E	89.8	Confident	92.7	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.005	15%	0.148	C	C	.	.			trans	-84.5	63.1	-166	-54.2	81.2	-171.6	0	0	110.7	G234 L286 R289 R290 K336 H754 W755	G234-E236 VanDerWaalsContact CA-CD 3.44Å; G234-E236 WeakPolarHBondContact CA-OE1 3.45Å; E236-L286 HydrophobicContact CB-CD1 4.46Å; E236-L286 HydrophobicContact CG-CD1 3.57Å; E236-L286 VanDerWaalsContact OE1-CD1 3.29Å; E236-L286 WeakPolarHBondContact OE1-CD1 3.34Å; E236-R289 HydrophobicContact CB-CB 3.83Å; E236-R289 VanDerWaalsContact O-CZ 3.32Å; E236-R289 PolarHBondContact O-NE 3.01Å; E236-R289 PolarHBondContact O-NH2 3.26Å; E236-R290 HydrophobicContact CG-CG 4.09Å; E236-K336 IonicContact OE1-NZ 3.92Å; E236-K336 PolarHBondContact OE1-NZ 3.05Å; E236-K336 IonicContact OE2-NZ 2.65Å; E236-H754 IonicContact OE1-NE2 3.61Å; E236-H754 PolarHBondContact OE1-NE2 2.83Å; E236-H754 IonicContact OE2-NE2 3.79Å; E236-H754 PolarHBondContact OE2-NE2 3.15Å; E236-W755 PolarHBondContact OE2-NE1 3.31Å
237	D	89.6	Confident	92.1	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	17%	0.171	C	C	.	.			trans	-93.2	101.3	-176.3	-64.2	-47.6	0	0	0	110.6	F176 Y177 P235 R289 Q756 T757	F176-D237 HydrophobicContact CB-CB 4.36Å; F176-D237 HydrophobicContact CD2-CB 4.33Å; F176-D237 VanDerWaalsContact CG-O 3.3Å; F176-D237 WeakPolarHBondContact CG-O 3.37Å; Y177-D237 HydrophobicContact CD2-CB 4.09Å; Y177-D237 HydrophobicContact CE2-CB 4.04Å; P235-D237 PolarHBondContact O-N 3.45Å; D237-R289 IonicContact OD1-NH2 3.39Å; D237-R289 PolarHBondContact OD1-NH2 2.82Å; D237-R289 VanDerWaalsContact OD1-NH2 3.17Å; D237-Q756 PolarHBondContact OD1-N 3.05Å; D237-Q756 PolarHBondContact OD2-NE2 3.31Å; D237-T757 HydrophobicContact CB-CG2 4.22Å; D237-T757 PolarHBondContact OD1-N 2.98Å; D237-T757 VanDerWaalsContact OD1-N 3.13Å; D237-T757 PolarHBondContact OD1-OG1 2.97Å
238	S	91.4	Very high	91.4	Very high	2 Å²	2	34.7 Å²	34.7	1%	0.014	21%	0.208	C	C	.	.			trans	-73.2	168.1	-179.4	74.6	0	0	0	0	113.4	Y177	Y177-S238 PolarHBondContact OH-O 3.04Å
239	A	92.3	Very high	90.8	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	21%	0.212	C	C	.	.			trans	-60.7	146.2	158.7	0	0	0	0	0	110.4	Y194 Y198 Q241 Y242	Y194-A239 HydrophobicContact CD2-CB 4.33Å; Y194-A239 HydrophobicContact CE2-CB 3.55Å; Y198-A239 HydrophobicContact CD1-CB 4.25Å; Y198-A239 HydrophobicContact CE1-CB 3.78Å; Y198-A239 PolarHBondContact OH-N 2.8Å; A239-Q241 VanDerWaalsContact C-N 3.34Å; A239-Q241 PolarHBondContact O-N 3Å; A239-Y242 HydrophobicContact CB-CD2 4.01Å; A239-Y242 HydrophobicContact CB-CE2 4.47Å; A239-Y242 PolarHBondContact O-N 3.37Å; A239-Y242 VanDerWaalsContact O-N 3.07Å
240	P	91.9	Very high	90.3	Very high	67 Å²	67	38.4 Å²	38.4	44%	0.435	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-57.2	-40.3	-174.3	-27.8	36.1	0	0	0	114.3	Y194 Y242 S243	Y194-P240 HydrophobicContact CD1-CG 3.89Å; Y194-P240 HydrophobicContact CD2-CG 4.1Å; Y194-P240 HydrophobicContact CE1-CG 4.49Å; Y194-P240 HydrophobicContact CG-CG 3.68Å; P240-Y242 PolarHBondContact O-N 2.78Å; P240-Y242 VanDerWaalsContact O-N 3.09Å; P240-S243 WeakPolarHBondContact O-CB 3.23Å; P240-S243 PolarHBondContact O-N 3.26Å; P240-S243 VanDerWaalsContact O-N 3.1Å; P240-S243 PolarHBondContact O-OG 2.95Å
241	Q	93.1	Very high	90	Very high	94 Å²	94	42.4 Å²	42.4	44%	0.439	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-63.8	-14.8	179.5	71	-81	11.4	0	0	114.1	Y194 A239	Y194-Q241 PolarHBondContact OH-NE2 2.83Å; Y194-Q241 PolarHBondContact OH-OE1 3.43Å; Y194-Q241 VanDerWaalsContact OH-OE1 3.12Å; A239-Q241 VanDerWaalsContact C-N 3.34Å; A239-Q241 PolarHBondContact O-N 3Å
242	Y	94.1	Very high	89.8	Confident	40 Å²	40	42.4 Å²	42.4	16%	0.157	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-106.2	-3	177.5	-57.2	-45.1	0	0	0	113.8	A239 P240 A244 A245 Q292 L295 D299	A239-Y242 HydrophobicContact CB-CD2 4.01Å; A239-Y242 HydrophobicContact CB-CE2 4.47Å; A239-Y242 PolarHBondContact O-N 3.37Å; A239-Y242 VanDerWaalsContact O-N 3.07Å; P240-Y242 PolarHBondContact O-N 2.78Å; P240-Y242 VanDerWaalsContact O-N 3.09Å; Y242-A244 PolarHBondContact O-N 3.46Å; Y242-A244 VanDerWaalsContact O-N 3.09Å; Y242-A245 WeakPolarHBondContact O-CB 3.25Å; Y242-A245 PolarHBondContact O-N 3.04Å; Y242-Q292 WeakPolarHBondContact O-CG 3.29Å; Y242-Q292 PolarHBondContact O-NE2 3Å; Y242-L295 HydrophobicContact CD1-CB 3.93Å; Y242-L295 HydrophobicContact CD1-CD1 3.5Å; Y242-L295 VanDerWaalsContact CD1-CD1 3.5Å; Y242-L295 HydrophobicContact CD1-CG 4.34Å; Y242-L295 HydrophobicContact CD2-CB 3.62Å; Y242-L295 HydrophobicContact CE1-CB 4.02Å; Y242-L295 HydrophobicContact CE1-CD1 4.07Å; Y242-L295 HydrophobicContact CE2-CB 3.73Å; Y242-L295 HydrophobicContact CG-CB 3.74Å; Y242-L295 HydrophobicContact CG-CD1 3.77Å; Y242-L295 HydrophobicContact CG-CG 4.42Å; Y242-D299 VanDerWaalsContact OH-CG 3.32Å; Y242-D299 PolarHBondContact OH-OD1 2.97Å; Y242-D299 PolarHBondContact OH-OD2 2.97Å
243	S	90.1	Very high	89.8	Confident	50 Å²	50	46.6 Å²	46.6	35%	0.35	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-25.6	-178.4	60.1	0	0	0	0	114.8	P240 Q292	P240-S243 WeakPolarHBondContact O-CB 3.23Å; P240-S243 PolarHBondContact O-N 3.26Å; P240-S243 VanDerWaalsContact O-N 3.1Å; P240-S243 PolarHBondContact O-OG 2.95Å; S243-Q292 VanDerWaalsContact C-NE2 3.34Å; S243-Q292 PolarHBondContact O-NE2 3.5Å
244	A	90.3	Very high	89.9	Confident	85 Å²	85	45.7 Å²	45.7	70%	0.702	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.2	-6.1	177.2	0	0	0	0	0	114.5	Y242	Y242-A244 PolarHBondContact O-N 3.46Å; Y242-A244 VanDerWaalsContact O-N 3.09Å
245	A	91.8	Very high	90.5	Very high	27 Å²	27	48.5 Å²	48.5	22%	0.223	29%	0.287	C	S	.	.			trans	-73	154.6	-173.2	0	0	0	0	0	113	Y242 R288 Q292 L295	Y242-A245 WeakPolarHBondContact O-CB 3.25Å; Y242-A245 PolarHBondContact O-N 3.04Å; A245-R288 WeakPolarHBondContact O-CG 3.09Å; A245-Q292 HydrophobicContact CB-CG 4.27Å; A245-Q292 PolarHBondContact O-NE2 2.9Å; A245-L295 HydrophobicContact CB-CD1 3.83Å
246	F	90.9	Very high	90.9	Very high	65 Å²	65	47.4 Å²	47.4	29%	0.285	28%	0.28	S	S	.	.			trans	53.8	53.2	178.9	-46.7	-73.9	0	0	0	115.9	S70 N248 A249 R288 M291 Q292 L295	S70-F246 VanDerWaalsContact CB-CZ 3.41Å; F246-N248 PolarHBondContact O-N 3.24Å; F246-N248 VanDerWaalsContact O-N 3.17Å; F246-A249 HydrophobicContact CB-CB 4.08Å; F246-A249 PolarHBondContact O-N 3.38Å; F246-R288 HydrophobicContact CB-CG 4.42Å; F246-R288 VanDerWaalsContact O-CG 3.28Å; F246-R288 WeakPolarHBondContact O-CG 3.42Å; F246-R288 PolarHBondContact O-NE 2.95Å; F246-M291 HydrophobicContact CD2-CB 3.47Å; F246-M291 VanDerWaalsContact CD2-CB 3.47Å; F246-M291 HydrophobicContact CE2-CB 3.7Å; F246-M291 HydrophobicContact CG-CB 4.1Å; F246-Q292 HydrophobicContact CD2-CG 4.44Å; F246-L295 HydrophobicContact CD2-CD1 4.45Å; F246-L295 HydrophobicContact CE2-CD1 3.52Å; F246-L295 HydrophobicContact CE2-CD2 4.26Å; F246-L295 HydrophobicContact CE2-CG 3.8Å; F246-L295 HydrophobicContact CZ-CD1 4.03Å; F246-L295 HydrophobicContact CZ-CD2 4.08Å; F246-L295 HydrophobicContact CZ-CG 4.15Å
247	P	86	Confident	91.2	Very high	77 Å²	77	48.7 Å²	48.7	50%	0.5	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.4	-40.2	176.8	21.3	-32.6	0	0	0	112.6	R288	P247-R288 PolarHBondContact O-NE 2.95Å; P247-R288 PolarHBondContact O-NH2 3.04Å
248	N	84.1	Confident	91.5	Very high	145 Å²	145	50.8 Å²	50.8	78%	0.775	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104	41.6	-174.3	-59.6	-9.9	0	0	0	113.1	F246 S250	F246-N248 PolarHBondContact O-N 3.24Å; F246-N248 VanDerWaalsContact O-N 3.17Å; N248-S250 PolarHBondContact O-N 3.49Å
249	A	85.1	Confident	91.6	Very high	10 Å²	10	55.3 Å²	55.3	8%	0.083	31%	0.314	C	S	.	.			trans	-71.3	87.2	-179.9	0	0	0	0	0	113.4	F246 Q287 R288	F246-A249 HydrophobicContact CB-CB 4.08Å; F246-A249 PolarHBondContact O-N 3.38Å; A249-Q287 HydrophobicContact CB-CG 4.36Å; A249-R288 HydrophobicContact CB-CB 4.26Å
250	S	87.6	Confident	91.6	Very high	69 Å²	69	56.3 Å²	56.3	48%	0.483	32%	0.322	S	S	.	.			trans	-103.5	-1.9	-178.4	57.1	0	0	0	0	115.1	N248 H252 I253	N248-S250 PolarHBondContact O-N 3.49Å; S250-H252 PolarHBondContact O-N 3.28Å; S250-I253 WeakPolarHBondContact O-CB 3.45Å; S250-I253 WeakPolarHBondContact O-CG1 3.4Å; S250-I253 PolarHBondContact O-N 3.05Å
251	Q	87.7	Confident	91.5	Very high	83 Å²	83	57 Å²	57	39%	0.388	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-29.9	-173.4	-71	77.2	2.1	0	0	114.6	L65 I253	L65-Q251 VanDerWaalsContact O-CB 3.23Å; L65-Q251 WeakPolarHBondContact O-CB 3.44Å; Q251-I253 PolarHBondContact O-N 2.86Å
252	H	91.8	Very high	91.4	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-7.4	177.5	75.1	-60.7	0	0	0	114.8	L65 S250 T254 Y257 N284 Q287 I329 Q331	L65-H252 HydrophobicContact CB-CB 4.01Å; L65-H252 HydrophobicContact CD1-CB 4.39Å; L65-H252 HydrophobicContact CD2-CB 4.38Å; L65-H252 HydrophobicContact CG-CB 4.5Å; S250-H252 PolarHBondContact O-N 3.28Å; H252-T254 VanDerWaalsContact C-N 3.3Å; H252-T254 PolarHBondContact O-N 2.69Å; H252-T254 VanDerWaalsContact O-N 3.07Å; H252-Y257 AromaticContact CD2-CE2 3.74Å; H252-Y257 AromaticContact NE2-CE2 3.68Å; H252-N284 PolarHBondContact CE1-OD1 3.15Å; H252-N284 PolarHBondContact NE2-OD1 3.04Å; H252-Q287 HydrophobicContact CB-CB 4.27Å; H252-Q287 HydrophobicContact CB-CG 3.9Å; H252-I329 PolarHBondContact CD2-O 3.05Å; H252-Q331 PolarHBondContact O-NE2 2.79Å
253	I	94.5	Very high	91.1	Very high	88 Å²	88	55.4 Å²	55.4	45%	0.451	33%	0.329	S	S	.	.			trans	-85.2	74.4	178.4	-53.9	177.6	0	0	0	108.9	S250 Q251 Y257	S250-I253 WeakPolarHBondContact O-CB 3.45Å; S250-I253 WeakPolarHBondContact O-CG1 3.4Å; S250-I253 PolarHBondContact O-N 3.05Å; Q251-I253 PolarHBondContact O-N 2.86Å; I253-Y257 HydrophobicContact CB-CG 4.45Å; I253-Y257 HydrophobicContact CG1-CD1 4.5Å; I253-Y257 HydrophobicContact CG1-CD2 4.48Å; I253-Y257 HydrophobicContact CG1-CE1 4.41Å; I253-Y257 HydrophobicContact CG1-CE2 4.41Å; I253-Y257 HydrophobicContact CG2-CD1 3.87Å; I253-Y257 HydrophobicContact CG2-CE1 4.35Å; I253-Y257 HydrophobicContact CG2-CG 4.16Å
254	T	94.8	Very high	91	Very high	17 Å²	17	55.3 Å²	55.3	10%	0.104	33%	0.325	C	S	.	.			trans	-78.8	166.9	173.7	58.4	0	0	0	0	111.6	L65 H252 S256 Y257 Q331 Y809	L65-T254 HydrophobicContact CD2-CG2 4.5Å; H252-T254 VanDerWaalsContact C-N 3.3Å; H252-T254 PolarHBondContact O-N 2.69Å; H252-T254 VanDerWaalsContact O-N 3.07Å; T254-S256 PolarHBondContact O-N 3.22Å; T254-S256 VanDerWaalsContact O-N 3.09Å; T254-S256 PolarHBondContact OG1-OG 2.96Å; T254-Y257 WeakPolarHBondContact O-CB 3.28Å; T254-Y257 PolarHBondContact O-N 3Å; T254-Y257 PolarHBondContact OG1-N 3.48Å; T254-Q331 PolarHBondContact OG1-NE2 2.91Å; T254-Y809 HydrophobicContact CG2-CD1 4.48Å; T254-Y809 HydrophobicContact CG2-CE1 4.12Å
255	P	96.1	Very high	91.1	Very high	74 Å²	74	51.2 Å²	51.2	48%	0.481	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-19.7	170.4	-29.3	39	0	0	0	115.1	Y809 L811	P255-Y809 HydrophobicContact CB-CD2 3.89Å; P255-Y809 HydrophobicContact CB-CE2 4.34Å; P255-Y809 HydrophobicContact CB-CG 4.22Å; P255-Y809 HydrophobicContact CG-CD2 3.62Å; P255-Y809 HydrophobicContact CG-CE2 3.54Å; P255-Y809 HydrophobicContact CG-CG 4.22Å; P255-L811 HydrophobicContact CB-CD1 4.26Å
256	S	95.4	Very high	91	Very high	2 Å²	2	50 Å²	50	1%	0.014	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-8.4	171.4	48.9	0	0	0	0	114	T254 N258 Y259 Q331 F332	T254-S256 PolarHBondContact O-N 3.22Å; T254-S256 VanDerWaalsContact O-N 3.09Å; T254-S256 PolarHBondContact OG1-OG 2.96Å; S256-N258 PolarHBondContact O-N 2.83Å; S256-Y259 WeakPolarHBondContact O-CB 3.3Å; S256-Y259 PolarHBondContact O-N 2.77Å; S256-Q331 CarbonylContact O-C 3.56Å; S256-Q331 WeakPolarHBondContact O-CA 3.09Å; S256-F332 PolarHBondContact O-N 3.05Å
257	Y	96.5	Very high	90.8	Very high	27 Å²	27	49.8 Å²	49.8	11%	0.106	28%	0.278	C	S	.	.	B	Isolated β-bridge	trans	-65.4	128.1	175.7	178.1	-90.3	0	0	0	110.8	H252 I253 T254 Y259 M275 M280 T283 I329	H252-Y257 AromaticContact CD2-CE2 3.74Å; H252-Y257 AromaticContact NE2-CE2 3.68Å; I253-Y257 HydrophobicContact CB-CG 4.45Å; I253-Y257 HydrophobicContact CG1-CD1 4.5Å; I253-Y257 HydrophobicContact CG1-CD2 4.48Å; I253-Y257 HydrophobicContact CG1-CE1 4.41Å; I253-Y257 HydrophobicContact CG1-CE2 4.41Å; I253-Y257 HydrophobicContact CG2-CD1 3.87Å; I253-Y257 HydrophobicContact CG2-CE1 4.35Å; I253-Y257 HydrophobicContact CG2-CG 4.16Å; T254-Y257 WeakPolarHBondContact O-CB 3.28Å; T254-Y257 PolarHBondContact O-N 3Å; T254-Y257 PolarHBondContact OG1-N 3.48Å; Y257-Y259 PolarHBondContact O-N 3.17Å; Y257-Y259 VanDerWaalsContact O-N 3.08Å; Y257-M275 HydrophobicContact CD1-CE 4.38Å; Y257-M275 HydrophobicContact CD2-CE 4.19Å; Y257-M275 HydrophobicContact CE1-CE 3.9Å; Y257-M275 HydrophobicContact CE2-CE 3.67Å; Y257-M280 HydrophobicContact CE1-CE 4.46Å; Y257-T283 HydrophobicContact CE2-CG2 4.35Å; Y257-T283 PolarHBondContact OH-OG1 3Å; Y257-I329 WeakPolarHBondContact CD2-O 3.46Å
258	N	95.6	Very high	90.9	Very high	45 Å²	45	46.1 Å²	46.1	24%	0.241	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.4	15.5	-174.7	-157.1	22.8	0	0	0	115.4	S256 A260 M275 G330	S256-N258 PolarHBondContact O-N 2.83Å; N258-A260 PolarHBondContact O-N 3.27Å; N258-M275 HydrophobicContact CB-CE 3.81Å; N258-M275 VanDerWaalsContact OD1-CB 3.25Å; N258-M275 WeakPolarHBondContact OD1-CB 3.33Å; N258-M275 WeakPolarHBondContact OD1-CG 3.3Å; N258-M275 PolarHBondContact OD1-N 3.46Å; N258-G330 PolarHBondContact N-O 3.42Å
259	Y	94.7	Very high	91.2	Very high	97 Å²	97	39.2 Å²	39.2	38%	0.38	22%	0.217	S	C	.	.			trans	-74.9	87	177.1	-168.9	-91.4	0	0	0	109.8	S256 Y257 N262 F332 L811	S256-Y259 WeakPolarHBondContact O-CB 3.3Å; S256-Y259 PolarHBondContact O-N 2.77Å; Y257-Y259 PolarHBondContact O-N 3.17Å; Y257-Y259 VanDerWaalsContact O-N 3.08Å; Y259-N262 VanDerWaalsContact CD1-OD1 3.28Å; Y259-N262 WeakPolarHBondContact CD1-OD1 3.39Å; Y259-N262 PolarHBondContact O-ND2 3.22Å; Y259-N262 PolarHBondContact O-OD1 2.92Å; Y259-F332 HydrophobicContact CD1-CD1 4.08Å; Y259-F332 HydrophobicContact CD1-CE1 4.22Å; Y259-F332 CarbonylContact O-C 3.53Å; Y259-F332 VanDerWaalsContact O-CA 3.27Å; Y259-F332 WeakPolarHBondContact O-CA 3.44Å; Y259-L811 HydrophobicContact CD1-CD2 4.32Å; Y259-L811 HydrophobicContact CD2-CD2 4.31Å; Y259-L811 HydrophobicContact CG-CD2 4.16Å
260	A	91.3	Very high	91.3	Very high	21 Å²	21	43.7 Å²	43.7	17%	0.174	23%	0.232	C	C	.	.			trans	-153.6	151.8	-174.7	0	0	0	0	0	111.9	N258	N258-A260 PolarHBondContact O-N 3.27Å
261	P	90.1	Very high	91.1	Very high	80 Å²	80	48.4 Å²	48.4	52%	0.519	24%	0.241	S	C	.	.			cis	-78.9	160.7	-0.6	34.3	-36.5	0	0	0	113.5	P263 T272	P261-P263 WeakPolarHBondContact O-CD 3.41Å; P261-T272 WeakPolarHBondContact CA-O 3.34Å
262	N	90.8	Very high	91.1	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.228	C	C	.	.			trans	-116.9	85.6	-177	-58.6	-99	0	0	0	110.9	Y259 D264 K265 L269 R270 F332	Y259-N262 VanDerWaalsContact CD1-OD1 3.28Å; Y259-N262 WeakPolarHBondContact CD1-OD1 3.39Å; Y259-N262 PolarHBondContact O-ND2 3.22Å; Y259-N262 PolarHBondContact O-OD1 2.92Å; N262-D264 PolarHBondContact O-N 3.49Å; N262-K265 HydrophobicContact CB-CB 4.03Å; N262-K265 HydrophobicContact CB-CD 3.93Å; N262-K265 HydrophobicContact CB-CG 3.94Å; N262-K265 PolarHBondContact O-N 3.11Å; N262-K265 WeakPolarHBondContact OD1-CE 3Å; N262-L269 HydrophobicContact CB-CB 3.88Å; N262-L269 PolarHBondContact N-O 2.74Å; N262-R270 WeakPolarHBondContact O-CG 3.48Å; N262-F332 WeakPolarHBondContact OD1-CD1 3.45Å
263	P	87.7	Confident	90.9	Very high	101 Å²	101	47 Å²	47	66%	0.656	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-24.1	180	28.5	-35	0	0	0	113	P261 R270	P261-P263 WeakPolarHBondContact O-CD 3.41Å; P263-R270 PolarHBondContact O-NE 3.36Å
264	D	88.7	Confident	90.7	Very high	48 Å²	48	47 Å²	47	26%	0.257	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-10.4	-178.4	70.4	-56.8	0	0	0	114.2	N262 F798 N813	N262-D264 PolarHBondContact O-N 3.49Å; D264-F798 VanDerWaalsContact O-CZ 3.25Å; D264-F798 WeakPolarHBondContact O-CZ 3.43Å; D264-N813 HydrophobicContact CB-CB 4.1Å; D264-N813 WeakPolarHBondContact O-CB 3.48Å; D264-N813 PolarHBondContact O-ND2 2.86Å; D264-N813 VanDerWaalsContact OD2-CB 3.31Å; D264-N813 WeakPolarHBondContact OD2-CB 2.57Å; D264-N813 PolarHBondContact OD2-N 3.41Å
265	K	92	Very high	90.7	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.248	C	C	.	.	S	Bend	trans	-108.3	-177	-176.2	-55.8	-173.4	-152.7	-53.3	0	111.7	N262 L269 R270 F332 F798 E800 Q810 L811	N262-K265 HydrophobicContact CB-CB 4.03Å; N262-K265 HydrophobicContact CB-CD 3.93Å; N262-K265 HydrophobicContact CB-CG 3.94Å; N262-K265 PolarHBondContact O-N 3.11Å; N262-K265 WeakPolarHBondContact OD1-CE 3Å; K265-L269 HydrophobicContact CB-CB 4.17Å; K265-L269 HydrophobicContact CB-CD1 4.1Å; K265-L269 HydrophobicContact CD-CD1 3.86Å; K265-R270 VanDerWaalsContact O-CZ 3.25Å; K265-R270 PolarHBondContact O-NE 2.87Å; K265-R270 PolarHBondContact O-NH2 2.83Å; K265-F332 HydrophobicContact CD-CD1 4.45Å; K265-F332 HydrophobicContact CD-CE1 4.31Å; K265-F332 HydrophobicContact CD-CZ 4.4Å; K265-F798 VanDerWaalsContact C-CE1 3.46Å; K265-E800 WeakPolarHBondContact CA-OE1 3.29Å; K265-Q810 WeakPolarHBondContact CE-O 3Å; K265-Q810 PolarHBondContact NZ-O 2.79Å; K265-L811 PolarHBondContact NZ-O 2.83Å
266	H	90	Very high	90.5	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.253	C	S	.	.			trans	-64.6	159.8	-177.5	73.6	112.3	0	0	0	112.5	I268 L269 R270 M340 Y342 F794 F798 E800	H266-I268 PolarHBondContact O-N 3.34Å; H266-L269 PolarHBondContact O-N 3.48Å; H266-R270 PolarHBondContact O-N 2.97Å; H266-M340 VanDerWaalsContact CE1-SD 3.57Å; H266-Y342 PolarHBondContact CD2-OH 2.83Å; H266-F794 HydrophobicContact CB-CD1 3.76Å; H266-F794 HydrophobicContact CB-CD2 4.14Å; H266-F794 HydrophobicContact CB-CE1 3.39Å; H266-F794 HydrophobicContact CB-CE2 3.82Å; H266-F794 HydrophobicContact CB-CG 4.13Å; H266-F794 HydrophobicContact CB-CZ 3.43Å; H266-F794 VanDerWaalsContact CB-CZ 3.43Å; H266-F794 AromaticContact CD2-CZ 3.85Å; H266-F794 AromaticContact CG-CE1 3.41Å; H266-F794 VanDerWaalsContact CG-CE1 3.41Å; H266-F794 AromaticContact CG-CZ 3.56Å; H266-F794 AromaticContact ND1-CE1 3.58Å; H266-F798 HydrophobicContact CB-CD1 4.36Å; H266-E800 WeakPolarHBondContact CB-OE1 3.45Å; H266-E800 IonicContact CD2-OE1 3.69Å; H266-E800 IonicContact CG-OE1 2.7Å; H266-E800 PolarHBondContact N-OE1 3.44Å
267	W	85.8	Confident	90.3	Very high	61 Å²	61	54.1 Å²	54.1	23%	0.231	28%	0.282	C	S	.	.	H	α-helix	trans	-52.8	-30.8	-164.9	70.4	-88	0	0	0	115.5	R270 Y271 L745 A772 N775	W267-R270 PolarHBondContact O-N 2.92Å; W267-Y271 HydrophobicContact CE3-CD2 4.07Å; W267-Y271 HydrophobicContact CE3-CE2 4.26Å; W267-Y271 WeakPolarHBondContact O-CD2 3.42Å; W267-Y271 PolarHBondContact O-N 3.33Å; W267-L745 HydrophobicContact CH2-CD2 3.74Å; W267-L745 HydrophobicContact CH2-CG 4.17Å; W267-L745 HydrophobicContact CZ3-CD2 3.76Å; W267-L745 HydrophobicContact CZ3-CG 4.01Å; W267-A772 HydrophobicContact CH2-CB 3.53Å; W267-A772 HydrophobicContact CZ2-CB 3.44Å; W267-A772 VanDerWaalsContact CZ2-CB 3.44Å; W267-N775 HydrophobicContact CZ2-CB 4.44Å
268	I	88.3	Confident	90	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-61.5	-50.8	176.9	-58.4	-174.2	0	0	0	109.9	H266 R270 Y271 T272 L334 M340 L745 A772 N775	H266-I268 PolarHBondContact O-N 3.34Å; I268-R270 PolarHBondContact O-N 3.24Å; I268-Y271 PolarHBondContact O-N 2.61Å; I268-T272 PolarHBondContact O-N 3.48Å; I268-T272 PolarHBondContact O-OG1 3.1Å; I268-T272 VanDerWaalsContact O-OG1 3.13Å; I268-L334 HydrophobicContact CG2-CD2 4.25Å; I268-M340 HydrophobicContact CD1-CE 4.07Å; I268-M340 HydrophobicContact CG2-CE 4.28Å; I268-L745 HydrophobicContact CB-CD2 4.45Å; I268-L745 HydrophobicContact CD1-CD2 4.19Å; I268-L745 HydrophobicContact CG1-CD2 3.98Å; I268-L745 HydrophobicContact CG2-CD2 3.96Å; I268-A772 HydrophobicContact CD1-CB 4.12Å; I268-N775 HydrophobicContact CD1-CB 3.94Å
269	L	90.5	Very high	89.9	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-72.9	-11.3	-176.5	-61.6	-176.3	0	0	0	114.1	N262 K265 H266 F332 L334 Y342	N262-L269 HydrophobicContact CB-CB 3.88Å; N262-L269 PolarHBondContact N-O 2.74Å; K265-L269 HydrophobicContact CB-CB 4.17Å; K265-L269 HydrophobicContact CB-CD1 4.1Å; K265-L269 HydrophobicContact CD-CD1 3.86Å; H266-L269 PolarHBondContact O-N 3.48Å; L269-F332 HydrophobicContact CD1-CB 3.76Å; L269-F332 HydrophobicContact CD1-CD2 3.78Å; L269-F332 HydrophobicContact CD1-CG 3.88Å; L269-F332 HydrophobicContact CD2-CB 3.61Å; L269-F332 HydrophobicContact CG-CB 4.28Å; L269-L334 HydrophobicContact CD2-CD1 3.77Å; L269-L334 HydrophobicContact CD2-CD2 3.86Å; L269-L334 HydrophobicContact CD2-CG 3.7Å; L269-Y342 HydrophobicContact CD1-CE2 3.77Å
270	R	87.3	Confident	89.8	Confident	104 Å²	104	52.3 Å²	52.3	39%	0.392	28%	0.28	S	S	.	.	H	α-helix	trans	-75.3	-32.5	167.1	-56.6	-173.7	-170.9	172.3	6.6	112.7	N262 P263 K265 H266 W267 I268	N262-R270 WeakPolarHBondContact O-CG 3.48Å; P263-R270 PolarHBondContact O-NE 3.36Å; K265-R270 VanDerWaalsContact O-CZ 3.25Å; K265-R270 PolarHBondContact O-NE 2.87Å; K265-R270 PolarHBondContact O-NH2 2.83Å; H266-R270 PolarHBondContact O-N 2.97Å; W267-R270 PolarHBondContact O-N 2.92Å; I268-R270 PolarHBondContact O-N 3.24Å
271	Y	83.4	Confident	89.9	Confident	169 Å²	169	56.3 Å²	56.3	66%	0.663	30%	0.295	S	S	*	.	H	α-helix	trans	-94.3	-18.6	177.3	-65.6	-65.8	0	0	0	113.1	W267 I268 G273	W267-Y271 HydrophobicContact CE3-CD2 4.07Å; W267-Y271 HydrophobicContact CE3-CE2 4.26Å; W267-Y271 WeakPolarHBondContact O-CD2 3.42Å; W267-Y271 PolarHBondContact O-N 3.33Å; I268-Y271 PolarHBondContact O-N 2.61Å; Y271-G273 PolarHBondContact O-N 3.02Å; Y271-G273 VanDerWaalsContact O-N 3.16Å
272	T	87.2	Confident	90	Very high	19 Å²	19	52.5 Å²	52.5	12%	0.117	27%	0.271	C	S	.	.			trans	-66.7	107.7	167.3	-55.6	0	0	0	0	109.8	P261 I268 F332 L334	P261-T272 WeakPolarHBondContact CA-O 3.34Å; I268-T272 PolarHBondContact O-N 3.48Å; I268-T272 PolarHBondContact O-OG1 3.1Å; I268-T272 VanDerWaalsContact O-OG1 3.13Å; T272-F332 VanDerWaalsContact CG2-O 3.25Å; T272-F332 WeakPolarHBondContact CG2-O 3.43Å; T272-L334 HydrophobicContact CG2-CD2 4.44Å
273	G	87.6	Confident	90.1	Very high	35 Å²	35	52.5 Å²	52.5	36%	0.361	27%	0.271	S	S	.	.			trans	-84.3	-179.6	168.6	0	0	0	0	0	112.9	Y271	Y271-G273 PolarHBondContact O-N 3.02Å; Y271-G273 VanDerWaalsContact O-N 3.16Å
274	P	92.1	Very high	90.4	Very high	86 Å²	86	50.8 Å²	50.8	56%	0.558	26%	0.256	S	S	*	.	P	Polyproline II helix	trans	-55.5	146	175.4	-23.5	32.8	0	0	0	113
275	M	93.3	Very high	90.5	Very high	12 Å²	12	49.8 Å²	49.8	6%	0.059	25%	0.25	C	S	.	.	P	Polyproline II helix	trans	-67.3	136.6	173.7	-69.7	-158.5	-70.2	0	0	111.5	Y257 N258 H279 M280 T283 V335	Y257-M275 HydrophobicContact CD1-CE 4.38Å; Y257-M275 HydrophobicContact CD2-CE 4.19Å; Y257-M275 HydrophobicContact CE1-CE 3.9Å; Y257-M275 HydrophobicContact CE2-CE 3.67Å; N258-M275 HydrophobicContact CB-CE 3.81Å; N258-M275 VanDerWaalsContact OD1-CB 3.25Å; N258-M275 WeakPolarHBondContact OD1-CB 3.33Å; N258-M275 WeakPolarHBondContact OD1-CG 3.3Å; N258-M275 PolarHBondContact OD1-N 3.46Å; M275-H279 HydrophobicContact CB-CB 3.96Å; M275-H279 HydrophobicContact CG-CB 4.25Å; M275-H279 HydrophobicContact SD-CB 4.12Å; M275-M280 HydrophobicContact CB-CG 4.06Å; M275-M280 HydrophobicContact CE-CG 4.28Å; M275-T283 HydrophobicContact CE-CG2 4.37Å; M275-T283 HydrophobicContact SD-CG2 4.07Å; M275-V335 HydrophobicContact CG-CG2 4.5Å; M275-V335 HydrophobicContact SD-CG2 4.25Å
276	K	91.9	Very high	90.6	Very high	134 Å²	134	49.8 Å²	49.8	58%	0.583	25%	0.25	S	S	*	.	P	Polyproline II helix	trans	-73.2	157.3	170.8	-62.5	-179.6	177.7	-177.1	0	110	V278 H279 M280	K276-V278 HydrophobicContact CB-CG1 3.87Å; K276-V278 PolarHBondContact O-N 2.84Å; K276-V278 VanDerWaalsContact O-N 3.14Å; K276-H279 WeakPolarHBondContact O-CA 3.33Å; K276-H279 WeakPolarHBondContact O-CB 3.5Å; K276-H279 PolarHBondContact O-N 2.78Å; K276-M280 PolarHBondContact O-N 2.82Å; K276-M280 VanDerWaalsContact O-N 3.11Å
277	P	92.1	Very high	90.8	Very high	97 Å²	97	49.8 Å²	49.8	63%	0.63	25%	0.25	S	S	*	.	H	α-helix	trans	-52.5	-38.6	176.2	-28.8	36	0	0	0	113.7	H279 M280 Q281	P277-H279 VanDerWaalsContact C-N 3.33Å; P277-H279 PolarHBondContact O-N 3.2Å; P277-M280 PolarHBondContact O-N 3.48Å; P277-M280 VanDerWaalsContact O-N 3.13Å; P277-Q281 PolarHBondContact O-N 3.28Å
278	V	90.6	Very high	91.1	Very high	39 Å²	39	50.6 Å²	50.6	24%	0.236	25%	0.253	C	S	.	.	H	α-helix	trans	-61	-36.8	174.2	60.5	0	0	0	0	113.1	K276 F282 W761 M763 F766	K276-V278 HydrophobicContact CB-CG1 3.87Å; K276-V278 PolarHBondContact O-N 2.84Å; K276-V278 VanDerWaalsContact O-N 3.14Å; V278-F282 VanDerWaalsContact O-CB 3.31Å; V278-F282 WeakPolarHBondContact O-CB 3.44Å; V278-F282 PolarHBondContact O-N 3.45Å; V278-F282 VanDerWaalsContact O-N 3.1Å; V278-W761 HydrophobicContact CG2-CH2 4.07Å; V278-W761 HydrophobicContact CG2-CZ2 3.58Å; V278-W761 WeakPolarHBondContact O-CH2 3.35Å; V278-M763 HydrophobicContact CG2-CB 4.07Å; V278-F766 HydrophobicContact CG2-CD1 4.24Å
279	H	92.6	Very high	91.3	Very high	23 Å²	23	50.7 Å²	50.7	11%	0.106	25%	0.253	C	S	.	.	H	α-helix	trans	-68.5	-39.8	173.4	-57.5	174	0	0	0	110.8	M275 K276 P277 F282 T283 V335 F766	M275-H279 HydrophobicContact CB-CB 3.96Å; M275-H279 HydrophobicContact CG-CB 4.25Å; M275-H279 HydrophobicContact SD-CB 4.12Å; K276-H279 WeakPolarHBondContact O-CA 3.33Å; K276-H279 WeakPolarHBondContact O-CB 3.5Å; K276-H279 PolarHBondContact O-N 2.78Å; P277-H279 VanDerWaalsContact C-N 3.33Å; P277-H279 PolarHBondContact O-N 3.2Å; H279-F282 WeakPolarHBondContact O-CB 3.25Å; H279-F282 PolarHBondContact O-N 2.81Å; H279-T283 WeakPolarHBondContact O-CG2 3.27Å; H279-T283 PolarHBondContact O-N 2.8Å; H279-T283 PolarHBondContact O-OG1 2.86Å; H279-V335 HydrophobicContact CB-CG1 3.97Å; H279-V335 HydrophobicContact CB-CG2 3.9Å; H279-V335 WeakPolarHBondContact ND1-CG2 3.35Å; H279-F766 AromaticContact CD2-CD2 3.55Å; H279-F766 AromaticContact NE2-CD2 3.76Å
280	M	93.4	Very high	91.5	Very high	69 Å²	69	50.7 Å²	50.7	34%	0.34	25%	0.253	S	S	.	.	H	α-helix	trans	-68.9	-35.1	-179.5	-65.8	174.4	63.3	0	0	113.2	Y257 M275 K276 P277 T283 N284	Y257-M280 HydrophobicContact CE1-CE 4.46Å; M275-M280 HydrophobicContact CB-CG 4.06Å; M275-M280 HydrophobicContact CE-CG 4.28Å; K276-M280 PolarHBondContact O-N 2.82Å; K276-M280 VanDerWaalsContact O-N 3.11Å; P277-M280 PolarHBondContact O-N 3.48Å; P277-M280 VanDerWaalsContact O-N 3.13Å; M280-T283 VanDerWaalsContact C-OG1 3.31Å; M280-T283 VanDerWaalsContact CA-OG1 3.27Å; M280-T283 WeakPolarHBondContact CA-OG1 3.03Å; M280-T283 PolarHBondContact O-OG1 3.47Å; M280-N284 PolarHBondContact O-N 3.44Å; M280-N284 PolarHBondContact O-ND2 2.88Å
281	Q	92.1	Very high	91.8	Very high	106 Å²	106	46 Å²	46	50%	0.495	24%	0.236	S	C	.	.	H	α-helix	trans	-72.3	-35.3	172.2	-63.6	-167.6	38.6	0	0	111.2	P277 M285 M763	P277-Q281 PolarHBondContact O-N 3.28Å; Q281-M285 WeakPolarHBondContact O-CB 3.42Å; Q281-M285 PolarHBondContact O-N 2.75Å; Q281-M285 VanDerWaalsContact O-N 3.08Å; Q281-M763 HydrophobicContact CB-CE 3.66Å; Q281-M763 HydrophobicContact CB-SD 3.77Å; Q281-M763 HydrophobicContact CG-CE 4.48Å; Q281-M763 HydrophobicContact CG-SD 4.21Å; Q281-M763 PolarHBondContact OE1-SD 2.9Å
282	F	92.2	Very high	92.4	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-64.6	-43.5	173.6	179.4	-96.3	0	0	0	113.1	V278 H279 M285 L286 V335 K336 H754 W755 W761 F766	V278-F282 VanDerWaalsContact O-CB 3.31Å; V278-F282 WeakPolarHBondContact O-CB 3.44Å; V278-F282 PolarHBondContact O-N 3.45Å; V278-F282 VanDerWaalsContact O-N 3.1Å; H279-F282 WeakPolarHBondContact O-CB 3.25Å; H279-F282 PolarHBondContact O-N 2.81Å; F282-M285 PolarHBondContact O-N 2.88Å; F282-L286 HydrophobicContact CE1-CB 4.49Å; F282-L286 HydrophobicContact CE1-CD2 3.87Å; F282-L286 HydrophobicContact CZ-CD2 4.34Å; F282-L286 WeakPolarHBondContact O-CB 3.32Å; F282-L286 PolarHBondContact O-N 3.3Å; F282-V335 HydrophobicContact CD1-CG1 3.8Å; F282-V335 HydrophobicContact CE1-CG1 4.22Å; F282-K336 HydrophobicContact CE1-CB 4.46Å; F282-K336 HydrophobicContact CE1-CD 3.6Å; F282-K336 HydrophobicContact CE1-CG 4.24Å; F282-K336 HydrophobicContact CZ-CD 3.71Å; F282-H754 AromaticContact CE2-CD2 3.94Å; F282-W755 HydrophobicContact CD2-CH2 4.03Å; F282-W755 HydrophobicContact CD2-CZ2 4.33Å; F282-W755 HydrophobicContact CE2-CH2 4.02Å; F282-W755 AromaticContact CE2-CZ2 3.91Å; F282-W755 HydrophobicContact CE2-CZ2 3.91Å; F282-W761 HydrophobicContact CB-CH2 3.5Å; F282-W761 VanDerWaalsContact CB-CH2 3.5Å; F282-W761 HydrophobicContact CB-CZ2 4.19Å; F282-W761 HydrophobicContact CB-CZ3 3.76Å; F282-W761 HydrophobicContact CD2-CD2 4.25Å; F282-W761 AromaticContact CD2-CE3 3.97Å; F282-W761 HydrophobicContact CD2-CE3 3.97Å; F282-W761 HydrophobicContact CD2-CH2 4.1Å; F282-W761 HydrophobicContact CD2-CZ2 4.33Å; F282-W761 AromaticContact CD2-CZ3 3.89Å; F282-W761 HydrophobicContact CD2-CZ3 3.89Å; F282-W761 HydrophobicContact CG-CH2 4.28Å; F282-W761 HydrophobicContact CG-CZ3 4.32Å; F282-F766 HydrophobicContact CB-CE1 4.12Å; F282-F766 HydrophobicContact CB-CZ 4.03Å; F282-F766 HydrophobicContact CD1-CE1 4.38Å; F282-F766 HydrophobicContact CD1-CE2 4.4Å; F282-F766 AromaticContact CD1-CZ 3.59Å; F282-F766 HydrophobicContact CD1-CZ 3.59Å; F282-F766 AromaticContact CD2-CE1 3.65Å; F282-F766 HydrophobicContact CD2-CE1 3.65Å; F282-F766 AromaticContact CD2-CZ 3.63Å; F282-F766 HydrophobicContact CD2-CZ 3.63Å; F282-F766 AromaticContact CE1-CZ 3.81Å; F282-F766 HydrophobicContact CE1-CZ 3.81Å; F282-F766 HydrophobicContact CE2-CE1 4.1Å; F282-F766 AromaticContact CE2-CZ 3.88Å; F282-F766 HydrophobicContact CE2-CZ 3.88Å; F282-F766 AromaticContact CG-CE1 3.8Å; F282-F766 HydrophobicContact CG-CE1 3.8Å; F282-F766 AromaticContact CG-CZ 3.46Å; F282-F766 HydrophobicContact CG-CZ 3.46Å; F282-F766 VanDerWaalsContact CG-CZ 3.46Å; F282-F766 AromaticContact CZ-CZ 3.96Å; F282-F766 HydrophobicContact CZ-CZ 3.96Å
283	T	93.9	Very high	92.8	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-60.8	-47.5	176.8	43.9	0	0	0	0	111.7	Y257 M275 H279 M280 M285 L286 Q287 I329 V335	Y257-T283 HydrophobicContact CE2-CG2 4.35Å; Y257-T283 PolarHBondContact OH-OG1 3Å; M275-T283 HydrophobicContact CE-CG2 4.37Å; M275-T283 HydrophobicContact SD-CG2 4.07Å; H279-T283 WeakPolarHBondContact O-CG2 3.27Å; H279-T283 PolarHBondContact O-N 2.8Å; H279-T283 PolarHBondContact O-OG1 2.86Å; M280-T283 VanDerWaalsContact C-OG1 3.31Å; M280-T283 VanDerWaalsContact CA-OG1 3.27Å; M280-T283 WeakPolarHBondContact CA-OG1 3.03Å; M280-T283 PolarHBondContact O-OG1 3.47Å; T283-M285 VanDerWaalsContact C-N 3.34Å; T283-M285 PolarHBondContact O-N 3.29Å; T283-L286 PolarHBondContact O-N 2.95Å; T283-Q287 PolarHBondContact O-N 2.94Å; T283-I329 HydrophobicContact CG2-CG2 3.63Å; T283-V335 HydrophobicContact CG2-CG1 4.32Å; T283-V335 VanDerWaalsContact CG2-O 3.31Å; T283-V335 WeakPolarHBondContact CG2-O 3.32Å
284	N	93	Very high	93.2	Very high	64 Å²	64	35.5 Å²	35.5	34%	0.342	18%	0.182	S	C	.	.	H	α-helix	trans	-56.1	-47.3	175.2	-68.9	-13.4	0	0	0	111.9	H252 M280 R288	H252-N284 PolarHBondContact CE1-OD1 3.15Å; H252-N284 PolarHBondContact NE2-OD1 3.04Å; M280-N284 PolarHBondContact O-N 3.44Å; M280-N284 PolarHBondContact O-ND2 2.88Å; N284-R288 PolarHBondContact O-N 2.76Å; N284-R288 VanDerWaalsContact O-N 3.17Å
285	M	91.9	Very high	93.5	Very high	28 Å²	28	32.7 Å²	32.7	14%	0.138	16%	0.162	C	C	.	.	H	α-helix	trans	-69.9	-37.7	-179.4	-168.6	169.2	-177.7	0	0	112.3	Q281 F282 T283 R288 R289 W755 P759 W761	Q281-M285 WeakPolarHBondContact O-CB 3.42Å; Q281-M285 PolarHBondContact O-N 2.75Å; Q281-M285 VanDerWaalsContact O-N 3.08Å; F282-M285 PolarHBondContact O-N 2.88Å; T283-M285 VanDerWaalsContact C-N 3.34Å; T283-M285 PolarHBondContact O-N 3.29Å; M285-R288 PolarHBondContact O-N 2.77Å; M285-R289 WeakPolarHBondContact O-CG 3.47Å; M285-R289 PolarHBondContact O-N 3.01Å; M285-W755 HydrophobicContact CB-CH2 4.11Å; M285-W755 HydrophobicContact CE-CE3 3.99Å; M285-W755 HydrophobicContact CE-CH2 4.17Å; M285-W755 HydrophobicContact CE-CZ3 3.43Å; M285-W755 VanDerWaalsContact CE-CZ3 3.43Å; M285-W755 HydrophobicContact CG-CH2 3.64Å; M285-W755 HydrophobicContact CG-CZ2 4.46Å; M285-W755 HydrophobicContact CG-CZ3 3.92Å; M285-W755 HydrophobicContact SD-CH2 3.66Å; M285-W755 HydrophobicContact SD-CZ3 3.42Å; M285-W755 WeakPolarHBondContact SD-CZ3 3.4Å; M285-P759 HydrophobicContact CE-CB 3.82Å; M285-P759 HydrophobicContact CE-CG 3.68Å; M285-P759 WeakPolarHBondContact CE-O 3.34Å; M285-W761 HydrophobicContact SD-CE3 4.1Å; M285-W761 HydrophobicContact SD-CZ3 4.35Å
286	L	92.9	Very high	93.6	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-64.7	-45.6	175.1	175	58.1	0	0	0	111.7	E236 F282 T283 R288 R289 R290 I329 K336	E236-L286 HydrophobicContact CB-CD1 4.46Å; E236-L286 HydrophobicContact CG-CD1 3.57Å; E236-L286 VanDerWaalsContact OE1-CD1 3.29Å; E236-L286 WeakPolarHBondContact OE1-CD1 3.34Å; F282-L286 HydrophobicContact CE1-CB 4.49Å; F282-L286 HydrophobicContact CE1-CD2 3.87Å; F282-L286 HydrophobicContact CZ-CD2 4.34Å; F282-L286 WeakPolarHBondContact O-CB 3.32Å; F282-L286 PolarHBondContact O-N 3.3Å; T283-L286 PolarHBondContact O-N 2.95Å; L286-R288 PolarHBondContact O-N 2.99Å; L286-R289 PolarHBondContact O-N 3.05Å; L286-R290 HydrophobicContact CD1-CG 4.17Å; L286-R290 WeakPolarHBondContact O-CG 3.5Å; L286-R290 PolarHBondContact O-N 2.9Å; L286-I329 HydrophobicContact CD2-CG2 4.21Å; L286-K336 HydrophobicContact CD2-CB 3.57Å; L286-K336 HydrophobicContact CD2-CD 3.8Å; L286-K336 HydrophobicContact CD2-CG 4.31Å
287	Q	94	Very high	93.9	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-60.5	-46.3	177.2	176.6	63.1	-10.4	0	0	110.8	L65 A249 H252 T283 R289 R290 M291 I329	L65-Q287 PolarHBondContact O-NE2 2.84Å; A249-Q287 HydrophobicContact CB-CG 4.36Å; H252-Q287 HydrophobicContact CB-CB 4.27Å; H252-Q287 HydrophobicContact CB-CG 3.9Å; T283-Q287 PolarHBondContact O-N 2.94Å; Q287-R289 PolarHBondContact O-N 2.9Å; Q287-R290 PolarHBondContact O-N 3.36Å; Q287-M291 WeakPolarHBondContact O-CG 3.45Å; Q287-M291 PolarHBondContact O-N 3.03Å; Q287-M291 VanDerWaalsContact O-N 3.09Å; Q287-I329 HydrophobicContact CB-CD1 4.09Å
288	R	92.8	Very high	94.2	Very high	77 Å²	77	21.5 Å²	21.5	29%	0.291	10%	0.104	S	C	.	.	H	α-helix	trans	-51.6	-56	173	-178.8	-174.8	-52.4	153	2.5	111.1	A245 F246 P247 A249 N284 M285 L286 R290 M291 Q292	A245-R288 WeakPolarHBondContact O-CG 3.09Å; F246-R288 HydrophobicContact CB-CG 4.42Å; F246-R288 VanDerWaalsContact O-CG 3.28Å; F246-R288 WeakPolarHBondContact O-CG 3.42Å; F246-R288 PolarHBondContact O-NE 2.95Å; P247-R288 PolarHBondContact O-NE 2.95Å; P247-R288 PolarHBondContact O-NH2 3.04Å; A249-R288 HydrophobicContact CB-CB 4.26Å; N284-R288 PolarHBondContact O-N 2.76Å; N284-R288 VanDerWaalsContact O-N 3.17Å; M285-R288 PolarHBondContact O-N 2.77Å; L286-R288 PolarHBondContact O-N 2.99Å; R288-R290 VanDerWaalsContact C-N 3.32Å; R288-R290 PolarHBondContact O-N 3.46Å; R288-M291 WeakPolarHBondContact O-CB 3.43Å; R288-M291 PolarHBondContact O-N 3.3Å; R288-M291 VanDerWaalsContact O-N 3.09Å; R288-Q292 HydrophobicContact CG-CG 4.37Å; R288-Q292 VanDerWaalsContact O-CG 3.3Å; R288-Q292 WeakPolarHBondContact O-CG 2.89Å; R288-Q292 PolarHBondContact O-N 2.9Å
289	R	92.3	Very high	94.5	Very high	3 Å²	3	20.9 Å²	20.9	1%	0.011	10%	0.099	C	C	.	.	H	α-helix	trans	-63	-34.9	-176.3	-69.4	-175.8	67.8	119	9.3	113.1	E236 D237 M285 L286 Q287 Q292 T293 T757 P759	E236-R289 HydrophobicContact CB-CB 3.83Å; E236-R289 VanDerWaalsContact O-CZ 3.32Å; E236-R289 PolarHBondContact O-NE 3.01Å; E236-R289 PolarHBondContact O-NH2 3.26Å; D237-R289 IonicContact OD1-NH2 3.39Å; D237-R289 PolarHBondContact OD1-NH2 2.82Å; D237-R289 VanDerWaalsContact OD1-NH2 3.17Å; M285-R289 WeakPolarHBondContact O-CG 3.47Å; M285-R289 PolarHBondContact O-N 3.01Å; L286-R289 PolarHBondContact O-N 3.05Å; Q287-R289 PolarHBondContact O-N 2.9Å; R289-Q292 PolarHBondContact O-N 3.46Å; R289-T293 WeakPolarHBondContact O-CG2 3.27Å; R289-T293 PolarHBondContact O-N 3.15Å; R289-T757 PolarHBondContact NH1-O 3.08Å; R289-T757 PolarHBondContact NH2-O 3.4Å; R289-T757 PolarHBondContact NH2-OG1 3.43Å; R289-P759 PolarHBondContact NH1-O 3.37Å
290	R	94.4	Very high	94.8	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-57.8	-50.8	170.2	-75.4	173.1	53.6	86.9	-10.2	111.4	D60 D62 P232 E236 L286 Q287 R288 Q292 T293 L294	D60-R290 PolarHBondContact O-NH1 3.09Å; D60-R290 PolarHBondContact O-NH2 3.08Å; D62-R290 IonicContact OD1-CZ 3.06Å; D62-R290 IonicContact OD1-NH2 2.8Å; D62-R290 PolarHBondContact OD1-NH2 3.18Å; P232-R290 HydrophobicContact CB-CB 3.87Å; P232-R290 HydrophobicContact CB-CG 4.03Å; P232-R290 PolarHBondContact O-NH1 2.65Å; E236-R290 HydrophobicContact CG-CG 4.09Å; L286-R290 HydrophobicContact CD1-CG 4.17Å; L286-R290 WeakPolarHBondContact O-CG 3.5Å; L286-R290 PolarHBondContact O-N 2.9Å; Q287-R290 PolarHBondContact O-N 3.36Å; R288-R290 VanDerWaalsContact C-N 3.32Å; R288-R290 PolarHBondContact O-N 3.46Å; R290-Q292 VanDerWaalsContact C-N 3.29Å; R290-Q292 PolarHBondContact O-N 3.33Å; R290-T293 PolarHBondContact O-N 3.39Å; R290-T293 PolarHBondContact O-OG1 3.34Å; R290-L294 PolarHBondContact O-N 2.84Å; R290-L294 VanDerWaalsContact O-N 3.15Å
291	M	94.8	Very high	95	Very high	6 Å²	6	16.6 Å²	16.6	3%	0.03	8%	0.079	C	C	.	.	H	α-helix	trans	-61.2	-37.2	177.7	-58	-53.1	93.3	0	0	112.3	F246 Q287 R288 T293 L294 L295	F246-M291 HydrophobicContact CD2-CB 3.47Å; F246-M291 VanDerWaalsContact CD2-CB 3.47Å; F246-M291 HydrophobicContact CE2-CB 3.7Å; F246-M291 HydrophobicContact CG-CB 4.1Å; Q287-M291 WeakPolarHBondContact O-CG 3.45Å; Q287-M291 PolarHBondContact O-N 3.03Å; Q287-M291 VanDerWaalsContact O-N 3.09Å; R288-M291 WeakPolarHBondContact O-CB 3.43Å; R288-M291 PolarHBondContact O-N 3.3Å; R288-M291 VanDerWaalsContact O-N 3.09Å; M291-T293 PolarHBondContact O-N 2.02Å; M291-L294 HydrophobicContact CE-CD1 3.99Å; M291-L294 WeakPolarHBondContact O-CB 3.4Å; M291-L294 PolarHBondContact O-N 3.13Å; M291-L294 HydrophobicContact SD-CD1 4.43Å; M291-L295 PolarHBondContact O-N 3.22Å
292	Q	94.8	Very high	95.3	Very high	2 Å²	2	14.8 Å²	14.8	1%	0.009	7%	0.07	C	C	.	.	H	α-helix	trans	-64.2	-37.5	176.3	-64.1	174.5	-18.7	0	0	112.7	Y242 S243 A245 F246 R288 R289 R290	Y242-Q292 WeakPolarHBondContact O-CG 3.29Å; Y242-Q292 PolarHBondContact O-NE2 3Å; S243-Q292 VanDerWaalsContact C-NE2 3.34Å; S243-Q292 PolarHBondContact O-NE2 3.5Å; A245-Q292 HydrophobicContact CB-CG 4.27Å; A245-Q292 PolarHBondContact O-NE2 2.9Å; F246-Q292 HydrophobicContact CD2-CG 4.44Å; R288-Q292 HydrophobicContact CG-CG 4.37Å; R288-Q292 VanDerWaalsContact O-CG 3.3Å; R288-Q292 WeakPolarHBondContact O-CG 2.89Å; R288-Q292 PolarHBondContact O-N 2.9Å; R289-Q292 PolarHBondContact O-N 3.46Å; R290-Q292 VanDerWaalsContact C-N 3.29Å; R290-Q292 PolarHBondContact O-N 3.33Å
293	T	95.5	Very high	95.6	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-69.6	-31.3	173.2	63.5	0	0	0	0	112.8	F176 R289 R290 M291 S296	F176-T293 HydrophobicContact CE1-CG2 4.07Å; F176-T293 HydrophobicContact CE2-CG2 3.93Å; F176-T293 HydrophobicContact CZ-CG2 3.55Å; R289-T293 WeakPolarHBondContact O-CG2 3.27Å; R289-T293 PolarHBondContact O-N 3.15Å; R290-T293 PolarHBondContact O-N 3.39Å; R290-T293 PolarHBondContact O-OG1 3.34Å; M291-T293 PolarHBondContact O-N 2.02Å; T293-S296 PolarHBondContact O-N 3.36Å
294	L	97.1	Very high	95.8	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-68.8	-30.1	177.3	-75.2	179.5	0	0	0	113.4	Q61 M71 A231 P232 R290 M291 S296 V297 D298	Q61-L294 HydrophobicContact CG-CD1 4.41Å; Q61-L294 HydrophobicContact CG-CD2 4.47Å; M71-L294 HydrophobicContact CG-CB 3.97Å; M71-L294 HydrophobicContact CG-CD1 4.44Å; M71-L294 HydrophobicContact SD-CB 3.88Å; M71-L294 HydrophobicContact SD-CD1 4.08Å; M71-L294 HydrophobicContact SD-CD2 3.81Å; M71-L294 HydrophobicContact SD-CG 4.14Å; A231-L294 HydrophobicContact CB-CD2 4.37Å; P232-L294 HydrophobicContact CB-CD2 4.26Å; P232-L294 HydrophobicContact CB-CG 4.1Å; P232-L294 HydrophobicContact CG-CD1 4.3Å; P232-L294 HydrophobicContact CG-CD2 4.06Å; P232-L294 HydrophobicContact CG-CG 4.19Å; R290-L294 PolarHBondContact O-N 2.84Å; R290-L294 VanDerWaalsContact O-N 3.15Å; M291-L294 HydrophobicContact CE-CD1 3.99Å; M291-L294 WeakPolarHBondContact O-CB 3.4Å; M291-L294 PolarHBondContact O-N 3.13Å; M291-L294 HydrophobicContact SD-CD1 4.43Å; L294-S296 PolarHBondContact O-N 2.92Å; L294-V297 CarbonylContact O-C 3.55Å; L294-V297 WeakPolarHBondContact O-CA 3.13Å; L294-V297 WeakPolarHBondContact O-CB 3.25Å; L294-V297 PolarHBondContact O-N 2.75Å; L294-D298 PolarHBondContact O-N 3.09Å
295	L	97.1	Very high	96.1	Very high	27 Å²	27	17.1 Å²	17.1	14%	0.141	8%	0.076	C	C	.	.	H	α-helix	trans	-57.9	-32	175	-74.7	174.3	0	0	0	112.8	S70 Y242 A245 F246 M291 V297 D298 D299	S70-L295 WeakPolarHBondContact O-CD2 3.49Å; Y242-L295 HydrophobicContact CD1-CB 3.93Å; Y242-L295 HydrophobicContact CD1-CD1 3.5Å; Y242-L295 VanDerWaalsContact CD1-CD1 3.5Å; Y242-L295 HydrophobicContact CD1-CG 4.34Å; Y242-L295 HydrophobicContact CD2-CB 3.62Å; Y242-L295 HydrophobicContact CE1-CB 4.02Å; Y242-L295 HydrophobicContact CE1-CD1 4.07Å; Y242-L295 HydrophobicContact CE2-CB 3.73Å; Y242-L295 HydrophobicContact CG-CB 3.74Å; Y242-L295 HydrophobicContact CG-CD1 3.77Å; Y242-L295 HydrophobicContact CG-CG 4.42Å; A245-L295 HydrophobicContact CB-CD1 3.83Å; F246-L295 HydrophobicContact CD2-CD1 4.45Å; F246-L295 HydrophobicContact CE2-CD1 3.52Å; F246-L295 HydrophobicContact CE2-CD2 4.26Å; F246-L295 HydrophobicContact CE2-CG 3.8Å; F246-L295 HydrophobicContact CZ-CD1 4.03Å; F246-L295 HydrophobicContact CZ-CD2 4.08Å; F246-L295 HydrophobicContact CZ-CG 4.15Å; M291-L295 PolarHBondContact O-N 3.22Å; L295-V297 VanDerWaalsContact C-N 3.31Å; L295-V297 PolarHBondContact O-N 2.79Å; L295-D298 WeakPolarHBondContact O-CB 3.17Å; L295-D298 PolarHBondContact O-N 3.19Å; L295-D299 PolarHBondContact O-N 2.93Å
296	S	96.9	Very high	96.4	Very high	2 Å²	2	18.9 Å²	18.9	1%	0.014	9%	0.086	C	C	.	.	H	α-helix	trans	-71.7	-26.3	174.6	-54.8	0	0	0	0	113	Y198 T200 T293 L294 S300	Y198-S296 WeakPolarHBondContact CE1-OG 3.23Å; Y198-S296 PolarHBondContact OH-OG 3.23Å; T200-S296 WeakPolarHBondContact CG2-O 3.25Å; T293-S296 PolarHBondContact O-N 3.36Å; L294-S296 PolarHBondContact O-N 2.92Å; S296-S300 PolarHBondContact O-N 3.37Å; S296-S300 VanDerWaalsContact O-N 3.14Å
297	V	97.9	Very high	96.6	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-79	-32.7	170.5	-173.6	0	0	0	0	110.4	T58 M71 T200 H229 A231 L294 L295 D299 S300 V301 Y321	T58-V297 HydrophobicContact CG2-CG1 4.04Å; M71-V297 HydrophobicContact CE-CB 3.81Å; M71-V297 HydrophobicContact CE-CG1 3.88Å; T200-V297 HydrophobicContact CG2-CG2 4.37Å; H229-V297 HydrophobicContact CB-CG2 4.03Å; A231-V297 HydrophobicContact CB-CG2 3.8Å; L294-V297 CarbonylContact O-C 3.55Å; L294-V297 WeakPolarHBondContact O-CA 3.13Å; L294-V297 WeakPolarHBondContact O-CB 3.25Å; L294-V297 PolarHBondContact O-N 2.75Å; L295-V297 VanDerWaalsContact C-N 3.31Å; L295-V297 PolarHBondContact O-N 2.79Å; V297-D299 VanDerWaalsContact C-N 3.32Å; V297-D299 PolarHBondContact O-N 3.48Å; V297-S300 WeakPolarHBondContact O-CA 3.23Å; V297-S300 VanDerWaalsContact O-CB 3.3Å; V297-S300 WeakPolarHBondContact O-CB 3.4Å; V297-S300 PolarHBondContact O-N 2.6Å; V297-V301 WeakPolarHBondContact O-CG2 3.23Å; V297-V301 PolarHBondContact O-N 3.11Å; V297-Y321 HydrophobicContact CG1-CE2 4.26Å
298	D	98.1	Very high	96.7	Very high	5 Å²	5	19 Å²	19	3%	0.027	9%	0.087	C	C	.	.	H	α-helix	trans	-63	-41.1	174.8	-154.3	42.2	0	0	0	111.4	M71 N72 K73 T74 L294 L295 Q302	M71-D298 VanDerWaalsContact CA-CG 3.48Å; M71-D298 VanDerWaalsContact CA-OD1 3.32Å; M71-D298 WeakPolarHBondContact CA-OD1 3.22Å; M71-D298 HydrophobicContact CB-CB 4.43Å; M71-D298 WeakPolarHBondContact CB-OD1 3.46Å; M71-D298 HydrophobicContact CE-CB 4.04Å; M71-D298 HydrophobicContact CG-CB 4.48Å; N72-D298 PolarHBondContact N-OD2 3.24Å; K73-D298 VanDerWaalsContact CB-OD2 3.28Å; K73-D298 WeakPolarHBondContact CB-OD2 3.27Å; K73-D298 HydrophobicContact CD-CB 4.44Å; K73-D298 WeakPolarHBondContact CD-OD2 3.34Å; K73-D298 VanDerWaalsContact CG-OD2 3.23Å; K73-D298 WeakPolarHBondContact CG-OD2 3.38Å; K73-D298 PolarHBondContact N-OD1 3.21Å; K73-D298 PolarHBondContact N-OD2 3.36Å; T74-D298 WeakPolarHBondContact CB-OD1 3.38Å; T74-D298 PolarHBondContact N-OD1 3.41Å; T74-D298 PolarHBondContact OG1-OD1 2.86Å; L294-D298 PolarHBondContact O-N 3.09Å; L295-D298 WeakPolarHBondContact O-CB 3.17Å; L295-D298 PolarHBondContact O-N 3.19Å; D298-Q302 PolarHBondContact O-N 2.87Å; D298-Q302 VanDerWaalsContact O-N 3.15Å
299	D	97.8	Very high	96.9	Very high	27 Å²	27	19.1 Å²	19.1	14%	0.144	10%	0.096	C	C	.	.	H	α-helix	trans	-59.7	-44	165.5	-99.1	28.1	0	0	0	112.9	K73 Y242 L295 V297 Q302 K303	K73-D299 IonicContact NZ-OD1 2.67Å; K73-D299 PolarHBondContact NZ-OD1 2.71Å; Y242-D299 VanDerWaalsContact OH-CG 3.32Å; Y242-D299 PolarHBondContact OH-OD1 2.97Å; Y242-D299 PolarHBondContact OH-OD2 2.97Å; L295-D299 PolarHBondContact O-N 2.93Å; V297-D299 VanDerWaalsContact C-N 3.32Å; V297-D299 PolarHBondContact O-N 3.48Å; D299-Q302 PolarHBondContact O-N 3.2Å; D299-K303 WeakPolarHBondContact O-CB 3.02Å; D299-K303 WeakPolarHBondContact O-CD 3.36Å; D299-K303 WeakPolarHBondContact O-CG 3.31Å; D299-K303 PolarHBondContact O-N 2.83Å; D299-K303 IonicContact OD2-NZ 2.89Å
300	S	98.1	Very high	97.2	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-60.7	-48.6	179.4	-170.9	0	0	0	0	112.1	T204 H229 S296 V297 Q302 K303 V304	T204-S300 WeakPolarHBondContact CG2-OG 3.23Å; T204-S300 VanDerWaalsContact OG1-CB 3.3Å; T204-S300 WeakPolarHBondContact OG1-CB 3.05Å; T204-S300 PolarHBondContact OG1-OG 2.99Å; H229-S300 PolarHBondContact CE1-OG 3.41Å; H229-S300 VanDerWaalsContact CE1-OG 3.23Å; H229-S300 PolarHBondContact NE2-OG 3.33Å; S296-S300 PolarHBondContact O-N 3.37Å; S296-S300 VanDerWaalsContact O-N 3.14Å; V297-S300 WeakPolarHBondContact O-CA 3.23Å; V297-S300 VanDerWaalsContact O-CB 3.3Å; V297-S300 WeakPolarHBondContact O-CB 3.4Å; V297-S300 PolarHBondContact O-N 2.6Å; S300-Q302 VanDerWaalsContact C-N 3.31Å; S300-Q302 PolarHBondContact O-N 2.65Å; S300-K303 PolarHBondContact O-N 2.9Å; S300-V304 WeakPolarHBondContact O-CB 3.06Å; S300-V304 WeakPolarHBondContact O-CG2 3.44Å; S300-V304 PolarHBondContact O-N 2.67Å
301	V	98.3	Very high	97.2	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.006	14%	0.138	C	C	.	.	H	α-helix	trans	-59.1	-42.8	175.9	176.8	0	0	0	0	110.6	I56 T74 I77 V297 Y305 Y321	I56-V301 HydrophobicContact CD1-CG2 3.86Å; I56-V301 HydrophobicContact CG2-CG2 4.37Å; T74-V301 HydrophobicContact CG2-CG1 4.18Å; T74-V301 HydrophobicContact CG2-CG2 4.11Å; T74-V301 WeakPolarHBondContact OG1-CB 3.34Å; T74-V301 WeakPolarHBondContact OG1-CG2 3.42Å; I77-V301 HydrophobicContact CD1-CG1 4.33Å; I77-V301 HydrophobicContact CG2-CG1 4.49Å; V297-V301 WeakPolarHBondContact O-CG2 3.23Å; V297-V301 PolarHBondContact O-N 3.11Å; V301-Y305 VanDerWaalsContact O-CB 3.23Å; V301-Y305 WeakPolarHBondContact O-CB 3.44Å; V301-Y305 PolarHBondContact O-N 2.95Å; V301-Y321 HydrophobicContact CG2-CD2 3.9Å; V301-Y321 HydrophobicContact CG2-CE2 3.93Å
302	Q	98.2	Very high	97.1	Very high	69 Å²	69	30 Å²	30	32%	0.322	17%	0.168	S	C	.	.	H	α-helix	trans	-64.8	-44.9	176.4	-171.1	176.6	35.3	0	0	112.6	K73 I77 D298 D299 S300 V304 Y305 N306	K73-Q302 HydrophobicContact CB-CB 4.44Å; K73-Q302 HydrophobicContact CD-CB 4.25Å; K73-Q302 VanDerWaalsContact CD-OE1 3.29Å; K73-Q302 VanDerWaalsContact CE-OE1 3.28Å; I77-Q302 HydrophobicContact CD1-CB 4.18Å; I77-Q302 HydrophobicContact CD1-CG 4.38Å; D298-Q302 PolarHBondContact O-N 2.87Å; D298-Q302 VanDerWaalsContact O-N 3.15Å; D299-Q302 PolarHBondContact O-N 3.2Å; S300-Q302 VanDerWaalsContact C-N 3.31Å; S300-Q302 PolarHBondContact O-N 2.65Å; Q302-V304 PolarHBondContact O-N 3.13Å; Q302-Y305 PolarHBondContact O-N 2.89Å; Q302-N306 WeakPolarHBondContact O-CB 3.21Å; Q302-N306 VanDerWaalsContact O-CG 3.23Å; Q302-N306 PolarHBondContact O-N 2.74Å; Q302-N306 PolarHBondContact O-OD1 2.82Å
303	K	98.3	Very high	97.1	Very high	62 Å²	62	31.6 Å²	31.6	27%	0.27	18%	0.175	S	C	.	.	H	α-helix	trans	-61.7	-42.7	177.9	-70.7	161.6	179.9	163.8	0	111.3	D201 T204 I208 D299 S300 M307	D201-K303 IonicContact OD1-NZ 3.68Å; D201-K303 PolarHBondContact OD1-NZ 3.25Å; T204-K303 HydrophobicContact CG2-CB 3.92Å; T204-K303 HydrophobicContact CG2-CD 3.79Å; I208-K303 HydrophobicContact CD1-CB 3.72Å; D299-K303 WeakPolarHBondContact O-CB 3.02Å; D299-K303 WeakPolarHBondContact O-CD 3.36Å; D299-K303 WeakPolarHBondContact O-CG 3.31Å; D299-K303 PolarHBondContact O-N 2.83Å; D299-K303 IonicContact OD2-NZ 2.89Å; S300-K303 PolarHBondContact O-N 2.9Å; K303-M307 WeakPolarHBondContact O-CB 3.26Å; K303-M307 PolarHBondContact O-N 3.36Å; K303-M307 VanDerWaalsContact O-N 3.09Å
304	V	98.3	Very high	97.1	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-68.4	-41.7	176.5	172.1	0	0	0	0	111.6	I54 I208 L227 S300 Q302 M307 L308	I54-V304 HydrophobicContact CD1-CG1 4.21Å; I54-V304 HydrophobicContact CG2-CG1 4.42Å; I208-V304 HydrophobicContact CD1-CG2 4.48Å; I208-V304 HydrophobicContact CG1-CG2 4.34Å; L227-V304 HydrophobicContact CD2-CG2 3.72Å; S300-V304 WeakPolarHBondContact O-CB 3.06Å; S300-V304 WeakPolarHBondContact O-CG2 3.44Å; S300-V304 PolarHBondContact O-N 2.67Å; Q302-V304 PolarHBondContact O-N 3.13Å; V304-M307 HydrophobicContact CG1-CE 4.37Å; V304-M307 PolarHBondContact O-N 3.36Å; V304-L308 WeakPolarHBondContact O-CG 3.43Å; V304-L308 PolarHBondContact O-N 3.34Å; V304-L308 VanDerWaalsContact O-N 3.14Å
305	Y	97.9	Very high	96.8	Very high	50 Å²	50	38 Å²	38	20%	0.196	21%	0.209	C	C	.	.	H	α-helix	trans	-60.7	-50.5	175.2	176.3	-100.4	0	0	0	111.7	I77 V301 Q302 M307 L308 V309 L314	I77-Y305 HydrophobicContact CD1-CD1 4.13Å; I77-Y305 HydrophobicContact CD1-CG 4.06Å; I77-Y305 HydrophobicContact CG1-CD1 4.17Å; I77-Y305 HydrophobicContact CG1-CG 4.18Å; I77-Y305 HydrophobicContact CG2-CD1 4.49Å; I77-Y305 HydrophobicContact CG2-CD2 3.46Å; I77-Y305 VanDerWaalsContact CG2-CD2 3.46Å; I77-Y305 HydrophobicContact CG2-CE2 3.98Å; I77-Y305 HydrophobicContact CG2-CG 3.75Å; V301-Y305 VanDerWaalsContact O-CB 3.23Å; V301-Y305 WeakPolarHBondContact O-CB 3.44Å; V301-Y305 PolarHBondContact O-N 2.95Å; Q302-Y305 PolarHBondContact O-N 2.89Å; Y305-M307 VanDerWaalsContact C-N 3.3Å; Y305-M307 PolarHBondContact O-N 2.95Å; Y305-L308 WeakPolarHBondContact O-CB 3.2Å; Y305-L308 PolarHBondContact O-N 3.03Å; Y305-V309 HydrophobicContact CD1-CG2 4.23Å; Y305-V309 HydrophobicContact CE1-CG2 3.81Å; Y305-V309 HydrophobicContact CE2-CG2 4.48Å; Y305-V309 WeakPolarHBondContact O-CG2 3.19Å; Y305-V309 PolarHBondContact O-N 2.89Å; Y305-V309 VanDerWaalsContact O-N 3.07Å; Y305-L314 HydrophobicContact CD2-CD1 3.72Å; Y305-L314 HydrophobicContact CE2-CD1 3.54Å; Y305-L314 HydrophobicContact CE2-CD2 3.84Å; Y305-L314 HydrophobicContact CE2-CG 4.35Å
306	N	98.3	Very high	96.7	Very high	66 Å²	66	37.7 Å²	37.7	35%	0.353	21%	0.208	S	C	.	.	H	α-helix	trans	-58.2	-43.4	178.5	-70.9	5.2	0	0	0	111.3	Q302 L308 V309 E310	Q302-N306 WeakPolarHBondContact O-CB 3.21Å; Q302-N306 VanDerWaalsContact O-CG 3.23Å; Q302-N306 PolarHBondContact O-N 2.74Å; Q302-N306 PolarHBondContact O-OD1 2.82Å; N306-L308 VanDerWaalsContact C-N 3.28Å; N306-L308 PolarHBondContact O-N 2.86Å; N306-V309 WeakPolarHBondContact O-CA 3.29Å; N306-V309 WeakPolarHBondContact O-CB 3.29Å; N306-V309 PolarHBondContact O-N 3.01Å; N306-E310 WeakPolarHBondContact O-CB 3.45Å; N306-E310 VanDerWaalsContact O-CG 3.25Å; N306-E310 WeakPolarHBondContact O-CG 3.47Å; N306-E310 PolarHBondContact O-N 2.89Å
307	M	97.8	Very high	96.6	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.005	21%	0.208	C	C	.	.	H	α-helix	trans	-56.8	-38.5	174.4	177.4	-75.7	-63.3	0	0	112.8	I208 F211 R212 K303 V304 Y305 T311	I208-M307 HydrophobicContact CB-CG 4.46Å; I208-M307 HydrophobicContact CG1-CB 4.25Å; I208-M307 HydrophobicContact CG1-CG 4.23Å; I208-M307 HydrophobicContact CG2-CB 4.45Å; I208-M307 HydrophobicContact CG2-CG 3.98Å; F211-M307 HydrophobicContact CB-CE 3.86Å; F211-M307 HydrophobicContact CB-SD 3.95Å; F211-M307 HydrophobicContact CD1-CE 3.85Å; F211-M307 HydrophobicContact CD1-SD 3.21Å; F211-M307 WeakPolarHBondContact CD1-SD 3.33Å; F211-M307 HydrophobicContact CD2-CE 4.18Å; F211-M307 HydrophobicContact CE1-CE 4.41Å; F211-M307 HydrophobicContact CE1-SD 3.78Å; F211-M307 HydrophobicContact CG-CE 3.7Å; F211-M307 HydrophobicContact CG-SD 3.69Å; R212-M307 HydrophobicContact CG-CG 4.17Å; K303-M307 WeakPolarHBondContact O-CB 3.26Å; K303-M307 PolarHBondContact O-N 3.36Å; K303-M307 VanDerWaalsContact O-N 3.09Å; V304-M307 HydrophobicContact CG1-CE 4.37Å; V304-M307 PolarHBondContact O-N 3.36Å; Y305-M307 VanDerWaalsContact C-N 3.3Å; Y305-M307 PolarHBondContact O-N 2.95Å; M307-T311 WeakPolarHBondContact O-CB 3.4Å; M307-T311 WeakPolarHBondContact O-CG2 3.47Å; M307-T311 PolarHBondContact O-N 3.36Å; M307-T311 PolarHBondContact O-OG1 2.92Å; M307-T311 HydrophobicContact SD-CG2 4.3Å
308	L	97.2	Very high	96.6	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.005	21%	0.21	C	C	.	.	H	α-helix	trans	-71.1	-30.1	175.1	-68.9	175.7	0	0	0	113.3	I54 F211 V304 Y305 N306 G312 E313 L314 T317	I54-L308 HydrophobicContact CD1-CD1 4.23Å; I54-L308 HydrophobicContact CD1-CD2 4.16Å; F211-L308 HydrophobicContact CE1-CD2 3.99Å; F211-L308 HydrophobicContact CE2-CD2 3.94Å; F211-L308 HydrophobicContact CZ-CD2 3.56Å; V304-L308 WeakPolarHBondContact O-CG 3.43Å; V304-L308 PolarHBondContact O-N 3.34Å; V304-L308 VanDerWaalsContact O-N 3.14Å; Y305-L308 WeakPolarHBondContact O-CB 3.2Å; Y305-L308 PolarHBondContact O-N 3.03Å; N306-L308 VanDerWaalsContact C-N 3.28Å; N306-L308 PolarHBondContact O-N 2.86Å; L308-G312 PolarHBondContact O-N 3.29Å; L308-E313 HydrophobicContact CD2-CB 4.28Å; L308-E313 PolarHBondContact O-N 2.91Å; L308-E313 VanDerWaalsContact O-N 3.1Å; L308-L314 HydrophobicContact CB-CB 4.1Å; L308-L314 HydrophobicContact CB-CD1 3.84Å; L308-L314 HydrophobicContact CD1-CD1 4.14Å; L308-L314 PolarHBondContact O-N 3.05Å; L308-T317 HydrophobicContact CD1-CG2 3.79Å; L308-T317 HydrophobicContact CD2-CG2 4.06Å
309	V	96.9	Very high	96.6	Very high	79 Å²	79	38.2 Å²	38.2	48%	0.479	21%	0.21	S	C	.	.	H	α-helix	trans	-69.7	-52.7	172	-177.7	0	0	0	0	109.9	Y305 N306 T311 G312 L314	Y305-V309 HydrophobicContact CD1-CG2 4.23Å; Y305-V309 HydrophobicContact CE1-CG2 3.81Å; Y305-V309 HydrophobicContact CE2-CG2 4.48Å; Y305-V309 WeakPolarHBondContact O-CG2 3.19Å; Y305-V309 PolarHBondContact O-N 2.89Å; Y305-V309 VanDerWaalsContact O-N 3.07Å; N306-V309 WeakPolarHBondContact O-CA 3.29Å; N306-V309 WeakPolarHBondContact O-CB 3.29Å; N306-V309 PolarHBondContact O-N 3.01Å; V309-T311 VanDerWaalsContact C-N 3.25Å; V309-T311 PolarHBondContact O-N 3.49Å; V309-G312 PolarHBondContact O-N 2.82Å; V309-L314 HydrophobicContact CG2-CD2 4.13Å
310	E	96.7	Very high	96.6	Very high	124 Å²	124	37 Å²	37	58%	0.579	20%	0.203	S	C	*	.	H	α-helix	trans	-56.9	-35.6	179.8	-69.1	161.5	-164.3	0	0	113.2	R212 N306	R212-E310 IonicContact CZ-OE2 2.67Å; R212-E310 IonicContact NE-OE2 3.21Å; R212-E310 IonicContact NH2-OE2 3.85Å; R212-E310 PolarHBondContact NH2-OE2 2.04Å; N306-E310 WeakPolarHBondContact O-CB 3.45Å; N306-E310 VanDerWaalsContact O-CG 3.25Å; N306-E310 WeakPolarHBondContact O-CG 3.47Å; N306-E310 PolarHBondContact O-N 2.89Å
311	T	94.4	Very high	96.6	Very high	51 Å²	51	37.1 Å²	37.1	31%	0.313	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-4	179.1	54.7	0	0	0	0	113.9	R212 M307 V309 E313	R212-T311 HydrophobicContact CG-CG2 4.29Å; M307-T311 WeakPolarHBondContact O-CB 3.4Å; M307-T311 WeakPolarHBondContact O-CG2 3.47Å; M307-T311 PolarHBondContact O-N 3.36Å; M307-T311 PolarHBondContact O-OG1 2.92Å; M307-T311 HydrophobicContact SD-CG2 4.3Å; V309-T311 VanDerWaalsContact C-N 3.25Å; V309-T311 PolarHBondContact O-N 3.49Å; T311-E313 PolarHBondContact O-N 3.14Å
312	G	93.9	Very high	96.6	Very high	64 Å²	64	37.3 Å²	37.3	66%	0.66	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.4	8.3	-177.1	0	0	0	0	0	115.1	L308 V309	L308-G312 PolarHBondContact O-N 3.29Å; V309-G312 PolarHBondContact O-N 2.82Å
313	E	95	Very high	96.6	Very high	34 Å²	34	34 Å²	34	16%	0.159	19%	0.189	C	C	.	.			trans	-91.6	-3.2	-175.2	-76.2	-80.9	-177.1	0	0	113.6	N52 F211 K215 L308 T311 D315 N316 T317	N52-E313 PolarHBondContact ND2-OE2 3.3Å; F211-E313 HydrophobicContact CE1-CB 4.04Å; F211-E313 HydrophobicContact CE1-CG 4.1Å; F211-E313 HydrophobicContact CZ-CB 3.79Å; F211-E313 HydrophobicContact CZ-CG 4.04Å; K215-E313 HydrophobicContact CD-CG 4.3Å; K215-E313 WeakPolarHBondContact CD-OE1 3.21Å; K215-E313 VanDerWaalsContact CE-CD 3.43Å; K215-E313 WeakPolarHBondContact CE-OE1 3.49Å; K215-E313 IonicContact NZ-OE1 2.7Å; K215-E313 PolarHBondContact NZ-OE1 2.72Å; K215-E313 IonicContact NZ-OE2 3.62Å; K215-E313 PolarHBondContact NZ-OE2 3.22Å; L308-E313 HydrophobicContact CD2-CB 4.28Å; L308-E313 PolarHBondContact O-N 2.91Å; L308-E313 VanDerWaalsContact O-N 3.1Å; T311-E313 PolarHBondContact O-N 3.14Å; E313-D315 PolarHBondContact O-N 2.87Å; E313-N316 CarbonylContact O-C 3.56Å; E313-N316 WeakPolarHBondContact O-CA 3.36Å; E313-N316 PolarHBondContact O-N 2.76Å; E313-N316 PolarHBondContact OE2-ND2 2.95Å; E313-T317 WeakPolarHBondContact O-CB 3.38Å; E313-T317 PolarHBondContact O-N 3.33Å; E313-T317 VanDerWaalsContact O-N 3.12Å; E313-T317 PolarHBondContact O-OG1 3.33Å
314	L	94.1	Very high	96.5	Very high	26 Å²	26	31.1 Å²	31.1	14%	0.136	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-52	-52.5	-178.7	-173.7	72.8	0	0	0	112.9	Y305 L308 V309 N316 T317	Y305-L314 HydrophobicContact CD2-CD1 3.72Å; Y305-L314 HydrophobicContact CE2-CD1 3.54Å; Y305-L314 HydrophobicContact CE2-CD2 3.84Å; Y305-L314 HydrophobicContact CE2-CG 4.35Å; L308-L314 HydrophobicContact CB-CB 4.1Å; L308-L314 HydrophobicContact CB-CD1 3.84Å; L308-L314 HydrophobicContact CD1-CD1 4.14Å; L308-L314 PolarHBondContact O-N 3.05Å; V309-L314 HydrophobicContact CG2-CD2 4.13Å; L314-N316 PolarHBondContact O-N 3.14Å; L314-N316 VanDerWaalsContact O-N 3.1Å; L314-T317 PolarHBondContact O-N 3.02Å; L314-T317 VanDerWaalsContact O-N 3.11Å
315	D	91.4	Very high	96.5	Very high	108 Å²	108	31.1 Å²	31.1	58%	0.578	18%	0.177	S	C	*	.	G	3₁₀ helix	trans	-70.8	-6	-178.7	-66	-17.6	0	0	0	113.2	R44 E313	R44-D315 VanDerWaalsContact CZ-O 3.3Å; R44-D315 PolarHBondContact NH1-O 3.03Å; R44-D315 VanDerWaalsContact NH2-CB 3.34Å; R44-D315 PolarHBondContact NH2-O 2.82Å; E313-D315 PolarHBondContact O-N 2.87Å
316	N	94.1	Very high	96.4	Very high	22 Å²	22	28.7 Å²	28.7	12%	0.118	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-111.4	6.7	177.9	-169.5	49.2	0	0	0	112.1	P51 N52 E313 L314	P51-N316 CarbonylContact C-O 3.49Å; P51-N316 WeakPolarHBondContact CA-O 3.39Å; P51-N316 VanDerWaalsContact CB-O 3.24Å; P51-N316 WeakPolarHBondContact CB-O 2.86Å; N52-N316 PolarHBondContact N-O 2.98Å; E313-N316 CarbonylContact O-C 3.56Å; E313-N316 WeakPolarHBondContact O-CA 3.36Å; E313-N316 PolarHBondContact O-N 2.76Å; E313-N316 PolarHBondContact OE2-ND2 2.95Å; L314-N316 PolarHBondContact O-N 3.14Å; L314-N316 VanDerWaalsContact O-N 3.1Å
317	T	96.5	Very high	96.2	Very high	2 Å²	2	26.1 Å²	26.1	1%	0.012	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	126.4	-174.5	-58.5	0	0	0	0	110.8	N52 I54 L308 E313 L314 G354	N52-T317 HydrophobicContact CB-CG2 4.06Å; N52-T317 PolarHBondContact ND2-OG1 3.09Å; N52-T317 WeakPolarHBondContact O-CA 3.24Å; I54-T317 HydrophobicContact CD1-CG2 4.06Å; I54-T317 HydrophobicContact CG1-CG2 3.9Å; L308-T317 HydrophobicContact CD1-CG2 3.79Å; L308-T317 HydrophobicContact CD2-CG2 4.06Å; E313-T317 WeakPolarHBondContact O-CB 3.38Å; E313-T317 PolarHBondContact O-N 3.33Å; E313-T317 VanDerWaalsContact O-N 3.12Å; E313-T317 PolarHBondContact O-OG1 3.33Å; L314-T317 PolarHBondContact O-N 3.02Å; L314-T317 VanDerWaalsContact O-N 3.11Å; T317-G354 VanDerWaalsContact O-CA 3.3Å; T317-G354 WeakPolarHBondContact O-CA 3.5Å
318	Y	97.4	Very high	96.1	Very high	14 Å²	14	26.1 Å²	26.1	6%	0.055	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	121.6	160.1	-68.4	-70.3	0	0	0	108.9	P51 N52 I53 I54 R353 P355 V357 M379 L394	P51-Y318 HydrophobicContact CB-CD2 4.06Å; P51-Y318 HydrophobicContact CB-CE2 4.07Å; P51-Y318 HydrophobicContact CG-CD2 3.93Å; P51-Y318 HydrophobicContact CG-CE2 3.65Å; N52-Y318 PolarHBondContact O-N 2.85Å; I53-Y318 CarbonylContact C-O 2.97Å; I53-Y318 WeakPolarHBondContact CA-O 3.08Å; I54-Y318 PolarHBondContact N-O 3.24Å; Y318-R353 CarbonylContact C-O 3.56Å; Y318-R353 WeakPolarHBondContact CA-O 3.49Å; Y318-P355 HydrophobicContact CD1-CG 4.4Å; Y318-P355 HydrophobicContact CD2-CG 4.49Å; Y318-P355 HydrophobicContact CE1-CG 3.94Å; Y318-P355 WeakPolarHBondContact CE1-O 3.33Å; Y318-P355 HydrophobicContact CE2-CG 4.07Å; Y318-P355 PolarHBondContact OH-O 3.31Å; Y318-V357 HydrophobicContact CD1-CG2 4.26Å; Y318-V357 HydrophobicContact CE1-CG2 3.98Å; Y318-M379 HydrophobicContact CD1-CE 3.62Å; Y318-M379 HydrophobicContact CD1-SD 4.12Å; Y318-M379 HydrophobicContact CD2-CB 3.9Å; Y318-M379 HydrophobicContact CD2-CE 4.19Å; Y318-M379 HydrophobicContact CD2-CG 3.75Å; Y318-M379 HydrophobicContact CD2-SD 3.59Å; Y318-M379 VanDerWaalsContact CD2-SD 3.59Å; Y318-M379 HydrophobicContact CE1-CE 3.9Å; Y318-M379 HydrophobicContact CE2-CB 3.75Å; Y318-M379 HydrophobicContact CE2-CE 4.4Å; Y318-M379 HydrophobicContact CE2-CG 3.57Å; Y318-M379 HydrophobicContact CE2-SD 4.02Å; Y318-M379 HydrophobicContact CG-CE 3.78Å; Y318-M379 HydrophobicContact CG-CG 4.31Å; Y318-M379 HydrophobicContact CG-SD 3.63Å; Y318-L394 HydrophobicContact CE1-CD1 4.48Å
319	L	97.9	Very high	96	Very high	2 Å²	2	26 Å²	26	1%	0.01	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	120.9	171.3	-177.3	61.5	0	0	0	107.6	I54 I56 M78 V352 R353	I54-L319 HydrophobicContact CB-CD1 3.85Å; I54-L319 HydrophobicContact CG2-CD1 3.77Å; I54-L319 WeakPolarHBondContact O-CA 3.38Å; I56-L319 HydrophobicContact CD1-CD1 3.85Å; I56-L319 HydrophobicContact CG1-CD1 4.11Å; M78-L319 HydrophobicContact CE-CG 4.2Å; M78-L319 WeakPolarHBondContact CE-O 3.47Å; M78-L319 HydrophobicContact SD-CD2 3.68Å; M78-L319 HydrophobicContact SD-CG 3.98Å; L319-V352 WeakPolarHBondContact O-CA 3.34Å; L319-R353 HydrophobicContact CB-CB 4.46Å; L319-R353 PolarHBondContact N-O 2.84Å; L319-R353 PolarHBondContact O-N 3.24Å
320	I	98.4	Very high	95.9	Very high	2 Å²	2	22.3 Å²	22.3	1%	0.01	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	131.9	-179	-57.1	171.1	0	0	0	107.6	I54 L55 I56 F350 Y351 V352 L372 M376 M379	I54-I320 PolarHBondContact O-N 2.84Å; L55-I320 HydrophobicContact CD1-CB 3.94Å; L55-I320 HydrophobicContact CD1-CG2 3.69Å; I56-I320 PolarHBondContact N-O 2.74Å; I320-F350 HydrophobicContact CG2-CZ 4.39Å; I320-Y351 WeakPolarHBondContact CA-O 3.33Å; I320-V352 HydrophobicContact CG1-CG1 4.24Å; I320-V352 HydrophobicContact CG1-CG2 4.38Å; I320-V352 HydrophobicContact CG2-CG2 4.46Å; I320-L372 HydrophobicContact CG2-CD2 3.93Å; I320-M376 HydrophobicContact CD1-CG 4.37Å; I320-M379 HydrophobicContact CD1-CE 4.41Å; I320-M379 HydrophobicContact CD1-SD 4.27Å
321	Y	98.4	Very high	95.9	Very high	2 Å²	2	16.4 Å²	16.4	1%	0.008	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	127.6	175.5	-179.3	-79.2	0	0	0	109.8	I56 Q61 M68 M71 T74 V297 V301 P349 F350 Y351	I56-Y321 HydrophobicContact CB-CD2 4.08Å; I56-Y321 HydrophobicContact CG2-CD2 3.78Å; I56-Y321 HydrophobicContact CG2-CE2 4.06Å; I56-Y321 WeakPolarHBondContact O-CA 3.49Å; Q61-Y321 PolarHBondContact NE2-OH 3.33Å; Q61-Y321 PolarHBondContact OE1-OH 2.68Å; M68-Y321 HydrophobicContact CE-CE1 4.18Å; M68-Y321 HydrophobicContact SD-CE1 3.77Å; M71-Y321 HydrophobicContact CE-CE2 4.22Å; M71-Y321 VanDerWaalsContact CE-OH 3.29Å; M71-Y321 WeakPolarHBondContact CE-OH 3.4Å; M71-Y321 PolarHBondContact SD-OH 3.34Å; T74-Y321 HydrophobicContact CG2-CD1 4.5Å; T74-Y321 HydrophobicContact CG2-CD2 3.9Å; T74-Y321 HydrophobicContact CG2-CE1 4.46Å; T74-Y321 HydrophobicContact CG2-CE2 3.86Å; T74-Y321 HydrophobicContact CG2-CG 4.23Å; V297-Y321 HydrophobicContact CG1-CE2 4.26Å; V301-Y321 HydrophobicContact CG2-CD2 3.9Å; V301-Y321 HydrophobicContact CG2-CE2 3.93Å; Y321-P349 HydrophobicContact CE1-CB 4.27Å; Y321-P349 HydrophobicContact CE1-CG 4.19Å; Y321-F350 WeakPolarHBondContact O-CA 3.49Å; Y321-Y351 AromaticContact CD1-CD2 3.9Å; Y321-Y351 HydrophobicContact CD1-CD2 3.9Å; Y321-Y351 HydrophobicContact CD1-CE2 4.38Å; Y321-Y351 PolarHBondContact N-O 3.35Å; Y321-Y351 PolarHBondContact O-N 2.93Å
322	T	98.2	Very high	95.9	Very high	4 Å²	4	14 Å²	14	3%	0.025	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	164.2	-179.7	-175.4	0	0	0	0	112.5	L55 I56 L57 T58 P349 L372	L55-T322 HydrophobicContact CD1-CG2 3.89Å; I56-T322 PolarHBondContact O-N 2.96Å; L57-T322 VanDerWaalsContact CA-O 3.3Å; L57-T322 WeakPolarHBondContact CA-O 3.38Å; L57-T322 HydrophobicContact CD1-CG2 3.87Å; T58-T322 PolarHBondContact N-O 2.68Å; T58-T322 PolarHBondContact OG1-O 2.88Å; T322-P349 VanDerWaalsContact CA-O 3.3Å; T322-P349 WeakPolarHBondContact CA-O 3.26Å; T322-P349 PolarHBondContact OG1-O 3.03Å; T322-L372 HydrophobicContact CG2-CD1 4.03Å
323	S	97.9	Very high	95.9	Very high	1 Å²	1	11.1 Å²	11.1	1%	0.007	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	166.8	164.7	-171.2	0	0	0	0	111.8	T58 Q61 H325	T58-S323 WeakPolarHBondContact OG1-CA 3.45Å; Q61-S323 WeakPolarHBondContact CA-OG 3.43Å; Q61-S323 WeakPolarHBondContact CB-OG 3.36Å; Q61-S323 PolarHBondContact N-OG 3.45Å; Q61-S323 VanDerWaalsContact N-OG 3.08Å; Q61-S323 VanDerWaalsContact O-CB 3.25Å; Q61-S323 WeakPolarHBondContact O-CB 3.47Å; Q61-S323 PolarHBondContact O-OG 3.13Å; S323-H325 PolarHBondContact OG-N 3.09Å; S323-H325 PolarHBondContact OG-O 3.34Å
324	D	96.6	Very high	95.8	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.051	C	C	.	.	S	Bend	trans	-81.7	-33.6	168.1	73.2	-23.2	0	0	0	113	L57 T58 D59 D60 S90 C95 S98 R99 I102	L57-D324 HydrophobicContact CD1-CB 4.22Å; T58-D324 PolarHBondContact O-N 2.86Å; D59-D324 WeakPolarHBondContact CA-OD1 3.35Å; D60-D324 PolarHBondContact N-OD1 3.41Å; D60-D324 VanDerWaalsContact N-OD1 3.13Å; S90-D324 WeakPolarHBondContact CB-O 3.45Å; S90-D324 PolarHBondContact OG-O 3.29Å; C95-D324 VanDerWaalsContact CA-OD2 3.29Å; C95-D324 WeakPolarHBondContact CA-OD2 3.4Å; C95-D324 VanDerWaalsContact CB-OD2 3.32Å; C95-D324 WeakPolarHBondContact CB-OD2 3.46Å; S98-D324 WeakPolarHBondContact CB-O 3.28Å; S98-D324 PolarHBondContact OG-O 2.9Å; R99-D324 HydrophobicContact CG-CB 3.98Å; R99-D324 IonicContact CZ-OD2 3.6Å; R99-D324 IonicContact NE-OD2 3.12Å; R99-D324 PolarHBondContact NE-OD2 3.24Å; R99-D324 IonicContact NH2-OD2 3.23Å; I102-D324 HydrophobicContact CD1-CB 4.3Å
325	H	96.5	Very high	95.7	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	5%	0.046	C	C	.	.			trans	-167.1	176.9	164.8	57.4	63.8	0	0	0	110.8	D60 Q61 M94 C95 S323 K338	D60-H325 IonicContact OD1-CE1 2.86Å; D60-H325 PolarHBondContact OD1-CE1 3.02Å; D60-H325 IonicContact OD1-NE2 3.93Å; Q61-H325 CarbonylContact C-O 3.6Å; Q61-H325 PolarHBondContact N-O 2.89Å; Q61-H325 VanDerWaalsContact O-O 3.05Å; M94-H325 PolarHBondContact N-CD2 2.81Å; M94-H325 VanDerWaalsContact N-CD2 3.29Å; C95-H325 PolarHBondContact N-CD2 3.4Å; C95-H325 VanDerWaalsContact N-CD2 3.35Å; C95-H325 PolarHBondContact N-NE2 3.11Å; C95-H325 PolarHBondContact SG-NE2 3.05Å; S323-H325 PolarHBondContact OG-N 3.09Å; S323-H325 PolarHBondContact OG-O 3.34Å; H325-K338 WeakPolarHBondContact CE1-CD 3.24Å
326	G	95.9	Very high	95.7	Very high	0 Å²	0	4.3 Å²	4.3	0%	0	2%	0.022	C	C	.	.			trans	-79.4	-161.5	176.7	0	0	0	0	0	114.6	F344 D345	G326-F344 CarbonylContact C-O 3.54Å; G326-F344 VanDerWaalsContact CA-O 3.32Å; G326-F344 WeakPolarHBondContact CA-O 3.13Å; G326-D345 WeakPolarHBondContact CA-O 3.4Å; G326-D345 PolarHBondContact N-O 2.84Å
327	Y	95.8	Very high	95.6	Very high	12 Å²	12	3.7 Å²	3.7	5%	0.047	2%	0.021	C	C	.	.			trans	-162.2	157.9	-176.5	-156	-102.9	0	0	0	112.1	D60 L65 I329 K336 G337 K338 F344 D345	D60-Y327 HydrophobicContact CB-CD2 3.62Å; D60-Y327 HydrophobicContact CB-CE2 4.08Å; D60-Y327 HydrophobicContact CB-CG 4.37Å; D60-Y327 WeakPolarHBondContact OD2-CD2 3.47Å; D60-Y327 WeakPolarHBondContact OD2-CE2 3.29Å; L65-Y327 WeakPolarHBondContact CD1-O 3.25Å; Y327-I329 HydrophobicContact CD1-CD1 4.4Å; Y327-I329 HydrophobicContact CD1-CG1 3.77Å; Y327-I329 HydrophobicContact CE1-CG1 4.02Å; Y327-K336 HydrophobicContact CE1-CB 4.3Å; Y327-K336 VanDerWaalsContact OH-CE 3.29Å; Y327-K336 WeakPolarHBondContact OH-CE 3.45Å; Y327-G337 WeakPolarHBondContact CD1-O 3.46Å; Y327-G337 WeakPolarHBondContact CD2-O 3.19Å; Y327-G337 WeakPolarHBondContact CE2-O 3.49Å; Y327-K338 HydrophobicContact CD2-CB 4.25Å; Y327-F344 PolarHBondContact N-O 2.96Å; Y327-D345 VanDerWaalsContact C-OD1 3.24Å; Y327-D345 WeakPolarHBondContact CA-OD1 3.29Å
328	H	95.3	Very high	95.3	Very high	0 Å²	0	5 Å²	5	0%	0	3%	0.026	C	C	.	.	B	Isolated β-bridge	trans	-125.6	147.2	172	55.7	-100.2	0	0	0	114.4	Q331 L334 K336 G337 K338 F344 D345	H328-Q331 HydrophobicContact CB-CB 4.19Å; H328-L334 VanDerWaalsContact CD2-CB 3.42Å; H328-L334 WeakPolarHBondContact CD2-CB 3.34Å; H328-K336 WeakPolarHBondContact O-CA 3.32Å; H328-G337 PolarHBondContact CD2-N 3.15Å; H328-G337 PolarHBondContact N-O 3.06Å; H328-G337 PolarHBondContact ND1-O 3.05Å; H328-G337 VanDerWaalsContact NE2-CA 3.34Å; H328-G337 WeakPolarHBondContact NE2-CA 3.03Å; H328-G337 PolarHBondContact NE2-N 2.9Å; H328-G337 PolarHBondContact O-N 3.46Å; H328-K338 PolarHBondContact CE1-N 2.58Å; H328-K338 PolarHBondContact CE1-O 3.35Å; H328-K338 VanDerWaalsContact CE1-O 3.3Å; H328-F344 HydrophobicContact CB-CD2 3.59Å; H328-F344 HydrophobicContact CB-CE2 3.58Å; H328-F344 HydrophobicContact CB-CG 4.42Å; H328-F344 HydrophobicContact CB-CZ 4.38Å; H328-F344 AromaticContact CG-CE2 3.92Å; H328-F344 AromaticContact ND1-CE2 3.7Å; H328-D345 IonicContact CE1-OD1 2.58Å; H328-D345 IonicContact CE1-OD2 3.29Å; H328-D345 PolarHBondContact CE1-OD2 3.25Å; H328-D345 IonicContact CG-OD1 3.73Å; H328-D345 PolarHBondContact N-OD1 3.35Å; H328-D345 VanDerWaalsContact ND1-CG 3.33Å; H328-D345 IonicContact ND1-OD1 3.17Å; H328-D345 PolarHBondContact ND1-OD1 2.94Å; H328-D345 IonicContact ND1-OD2 2.21Å; H328-D345 PolarHBondContact ND1-OD2 2.04Å
329	I	94.9	Very high	95.1	Very high	0 Å²	0	4.4 Å²	4.4	0%	0	2%	0.024	C	C	.	.	S	Bend	trans	-141.5	80.5	-177.1	-48.6	173.2	0	0	0	108	L65 H252 Y257 T283 L286 Q287 Y327 Q331	L65-I329 HydrophobicContact CD1-CB 4.11Å; L65-I329 HydrophobicContact CD1-CD1 3.76Å; L65-I329 HydrophobicContact CD1-CG1 3.67Å; H252-I329 PolarHBondContact CD2-O 3.05Å; Y257-I329 WeakPolarHBondContact CD2-O 3.46Å; T283-I329 HydrophobicContact CG2-CG2 3.63Å; L286-I329 HydrophobicContact CD2-CG2 4.21Å; Q287-I329 HydrophobicContact CB-CD1 4.09Å; Y327-I329 HydrophobicContact CD1-CD1 4.4Å; Y327-I329 HydrophobicContact CD1-CG1 3.77Å; Y327-I329 HydrophobicContact CE1-CG1 4.02Å; I329-Q331 VanDerWaalsContact C-OE1 3.27Å; I329-Q331 PolarHBondContact O-OE1 2.69Å
330	G	94.8	Very high	94.9	Very high	0 Å²	0	4.3 Å²	4.3	0%	0	2%	0.024	C	C	.	.	S	Bend	trans	92.1	-8.4	179.1	0	0	0	0	0	116	N258 F332 G333 L334 V335	N258-G330 PolarHBondContact N-O 3.42Å; G330-F332 PolarHBondContact O-N 2.94Å; G330-G333 PolarHBondContact O-N 3.33Å; G330-L334 VanDerWaalsContact CA-O 3.31Å; G330-L334 WeakPolarHBondContact CA-O 3.38Å; G330-L334 PolarHBondContact N-O 3Å; G330-V335 PolarHBondContact N-O 3.28Å
331	Q	96	Very high	94.7	Very high	0 Å²	0	4.2 Å²	4.2	0%	0	2%	0.023	C	C	.	.	B	Isolated β-bridge	trans	-56.2	132	172.7	-76.6	60	44.1	0	0	110.8	H252 T254 S256 H328 I329 G333 L334 F344	H252-Q331 PolarHBondContact O-NE2 2.79Å; T254-Q331 PolarHBondContact OG1-NE2 2.91Å; S256-Q331 CarbonylContact O-C 3.56Å; S256-Q331 WeakPolarHBondContact O-CA 3.09Å; H328-Q331 HydrophobicContact CB-CB 4.19Å; I329-Q331 VanDerWaalsContact C-OE1 3.27Å; I329-Q331 PolarHBondContact O-OE1 2.69Å; Q331-G333 PolarHBondContact O-N 3.25Å; Q331-G333 VanDerWaalsContact O-N 3.09Å; Q331-L334 VanDerWaalsContact O-CB 3.28Å; Q331-L334 WeakPolarHBondContact O-CB 3.25Å; Q331-L334 PolarHBondContact O-N 3.06Å; Q331-F344 HydrophobicContact CB-CD1 4.03Å; Q331-F344 HydrophobicContact CB-CE1 3.6Å; Q331-F344 HydrophobicContact CB-CE2 4.38Å; Q331-F344 HydrophobicContact CB-CZ 3.78Å; Q331-F344 HydrophobicContact CG-CD1 3.76Å; Q331-F344 HydrophobicContact CG-CE1 3.85Å; Q331-F344 HydrophobicContact CG-CG 4.25Å; Q331-F344 HydrophobicContact CG-CZ 4.43Å
332	F	95.4	Very high	94.6	Very high	0 Å²	0	4.1 Å²	4.1	0%	0	2%	0.023	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.4	28.4	-173	-54.7	-55.9	0	0	0	114.9	S256 Y259 N262 K265 L269 T272 G330 L334 Y342 F344 Y809 Q810 L811	S256-F332 PolarHBondContact O-N 3.05Å; Y259-F332 HydrophobicContact CD1-CD1 4.08Å; Y259-F332 HydrophobicContact CD1-CE1 4.22Å; Y259-F332 CarbonylContact O-C 3.53Å; Y259-F332 VanDerWaalsContact O-CA 3.27Å; Y259-F332 WeakPolarHBondContact O-CA 3.44Å; N262-F332 WeakPolarHBondContact OD1-CD1 3.45Å; K265-F332 HydrophobicContact CD-CD1 4.45Å; K265-F332 HydrophobicContact CD-CE1 4.31Å; K265-F332 HydrophobicContact CD-CZ 4.4Å; L269-F332 HydrophobicContact CD1-CB 3.76Å; L269-F332 HydrophobicContact CD1-CD2 3.78Å; L269-F332 HydrophobicContact CD1-CG 3.88Å; L269-F332 HydrophobicContact CD2-CB 3.61Å; L269-F332 HydrophobicContact CG-CB 4.28Å; T272-F332 VanDerWaalsContact CG2-O 3.25Å; T272-F332 WeakPolarHBondContact CG2-O 3.43Å; G330-F332 PolarHBondContact O-N 2.94Å; F332-L334 VanDerWaalsContact C-N 3.28Å; F332-L334 PolarHBondContact O-N 3.38Å; F332-Y342 HydrophobicContact CD2-CD2 4.03Å; F332-Y342 HydrophobicContact CD2-CE2 4.02Å; F332-Y342 HydrophobicContact CE2-CD1 4.13Å; F332-Y342 AromaticContact CE2-CD2 3.77Å; F332-Y342 HydrophobicContact CE2-CD2 3.77Å; F332-Y342 HydrophobicContact CE2-CE1 4.3Å; F332-Y342 AromaticContact CE2-CE2 3.94Å; F332-Y342 HydrophobicContact CE2-CE2 3.94Å; F332-Y342 AromaticContact CE2-CG 3.88Å; F332-Y342 HydrophobicContact CE2-CG 3.88Å; F332-F344 AromaticContact CD2-CE1 3.99Å; F332-F344 HydrophobicContact CD2-CE1 3.99Å; F332-F344 AromaticContact CD2-CZ 3.95Å; F332-F344 HydrophobicContact CD2-CZ 3.95Å; F332-F344 AromaticContact CE2-CE1 3.73Å; F332-F344 HydrophobicContact CE2-CE1 3.73Å; F332-F344 HydrophobicContact CE2-CZ 4.06Å; F332-Y809 WeakPolarHBondContact CZ-O 3.4Å; F332-Q810 HydrophobicContact CZ-CB 4.2Å; F332-Q810 WeakPolarHBondContact CZ-O 3.47Å; F332-L811 HydrophobicContact CE1-CD2 4.22Å
333	G	93.2	Very high	94.5	Very high	5 Å²	5	4.3 Å²	4.3	5%	0.052	2%	0.024	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.1	0.5	-176.1	0	0	0	0	0	115.2	G330 Q331 V335	G330-G333 PolarHBondContact O-N 3.33Å; Q331-G333 PolarHBondContact O-N 3.25Å; Q331-G333 VanDerWaalsContact O-N 3.09Å; G333-V335 PolarHBondContact O-N 3.24Å; G333-V335 VanDerWaalsContact O-N 3.1Å
334	L	93.3	Very high	94.4	Very high	1 Å²	1	4.7 Å²	4.7	1%	0.005	3%	0.025	C	C	.	.			trans	-75.7	96.3	-179.9	-61.7	171.3	0	0	0	110.9	I268 L269 T272 H328 G330 Q331 F332 K336 M340 T770	I268-L334 HydrophobicContact CG2-CD2 4.25Å; L269-L334 HydrophobicContact CD2-CD1 3.77Å; L269-L334 HydrophobicContact CD2-CD2 3.86Å; L269-L334 HydrophobicContact CD2-CG 3.7Å; T272-L334 HydrophobicContact CG2-CD2 4.44Å; H328-L334 VanDerWaalsContact CD2-CB 3.42Å; H328-L334 WeakPolarHBondContact CD2-CB 3.34Å; G330-L334 VanDerWaalsContact CA-O 3.31Å; G330-L334 WeakPolarHBondContact CA-O 3.38Å; G330-L334 PolarHBondContact N-O 3Å; Q331-L334 VanDerWaalsContact O-CB 3.28Å; Q331-L334 WeakPolarHBondContact O-CB 3.25Å; Q331-L334 PolarHBondContact O-N 3.06Å; F332-L334 VanDerWaalsContact C-N 3.28Å; F332-L334 PolarHBondContact O-N 3.38Å; L334-K336 PolarHBondContact O-N 2.93Å; L334-M340 HydrophobicContact CD1-CE 3.77Å; L334-M340 HydrophobicContact CD1-CG 3.81Å; L334-M340 HydrophobicContact CD1-SD 4.45Å; L334-M340 HydrophobicContact CD2-CE 4.26Å; L334-T770 HydrophobicContact CB-CG2 4.03Å; L334-T770 HydrophobicContact CD2-CG2 4.1Å
335	V	92.4	Very high	94.4	Very high	7 Å²	7	4.7 Å²	4.7	4%	0.042	3%	0.025	C	C	.	.			trans	-47.6	-49	-170.7	-171.6	0	0	0	0	114.5	M275 H279 F282 T283 G330 G333 F766 A768	M275-V335 HydrophobicContact CG-CG2 4.5Å; M275-V335 HydrophobicContact SD-CG2 4.25Å; H279-V335 HydrophobicContact CB-CG1 3.97Å; H279-V335 HydrophobicContact CB-CG2 3.9Å; H279-V335 WeakPolarHBondContact ND1-CG2 3.35Å; F282-V335 HydrophobicContact CD1-CG1 3.8Å; F282-V335 HydrophobicContact CE1-CG1 4.22Å; T283-V335 HydrophobicContact CG2-CG1 4.32Å; T283-V335 VanDerWaalsContact CG2-O 3.31Å; T283-V335 WeakPolarHBondContact CG2-O 3.32Å; G330-V335 PolarHBondContact N-O 3.28Å; G333-V335 PolarHBondContact O-N 3.24Å; G333-V335 VanDerWaalsContact O-N 3.1Å; V335-F766 HydrophobicContact CG1-CE2 3.97Å; V335-F766 HydrophobicContact CG1-CZ 4.44Å; V335-A768 HydrophobicContact CB-CB 4.28Å
336	K	91.6	Very high	94.4	Very high	16 Å²	16	4.7 Å²	4.7	7%	0.07	3%	0.025	C	C	.	.	S	Bend	trans	-154.6	144.9	166.9	68.3	-177.8	-79.8	157.4	0	111.4	E236 F282 L286 Y327 H328 L334 H754 T770	E236-K336 IonicContact OE1-NZ 3.92Å; E236-K336 PolarHBondContact OE1-NZ 3.05Å; E236-K336 IonicContact OE2-NZ 2.65Å; F282-K336 HydrophobicContact CE1-CB 4.46Å; F282-K336 HydrophobicContact CE1-CD 3.6Å; F282-K336 HydrophobicContact CE1-CG 4.24Å; F282-K336 HydrophobicContact CZ-CD 3.71Å; L286-K336 HydrophobicContact CD2-CB 3.57Å; L286-K336 HydrophobicContact CD2-CD 3.8Å; L286-K336 HydrophobicContact CD2-CG 4.31Å; Y327-K336 HydrophobicContact CE1-CB 4.3Å; Y327-K336 VanDerWaalsContact OH-CE 3.29Å; Y327-K336 WeakPolarHBondContact OH-CE 3.45Å; H328-K336 WeakPolarHBondContact O-CA 3.32Å; L334-K336 PolarHBondContact O-N 2.93Å; K336-H754 PolarHBondContact NZ-NE2 3.1Å; K336-T770 VanDerWaalsContact O-CB 3.27Å; K336-T770 WeakPolarHBondContact O-CB 3.32Å; K336-T770 VanDerWaalsContact O-CG2 3.27Å; K336-T770 WeakPolarHBondContact O-CG2 3.3Å; K336-T770 PolarHBondContact O-OG1 2.97Å
337	G	90.9	Very high	94.5	Very high	9 Å²	9	7.4 Å²	7.4	9%	0.093	4%	0.035	C	C	.	.	B	Isolated β-bridge	trans	163.7	-160.1	172.4	0	0	0	0	0	115	Y327 H328	Y327-G337 WeakPolarHBondContact CD1-O 3.46Å; Y327-G337 WeakPolarHBondContact CD2-O 3.19Å; Y327-G337 WeakPolarHBondContact CE2-O 3.49Å; H328-G337 PolarHBondContact CD2-N 3.15Å; H328-G337 PolarHBondContact N-O 3.06Å; H328-G337 PolarHBondContact ND1-O 3.05Å; H328-G337 VanDerWaalsContact NE2-CA 3.34Å; H328-G337 WeakPolarHBondContact NE2-CA 3.03Å; H328-G337 PolarHBondContact NE2-N 2.9Å; H328-G337 PolarHBondContact O-N 3.46Å
338	K	91.1	Very high	94.5	Very high	30 Å²	30	7 Å²	7	13%	0.13	3%	0.034	C	C	.	.			trans	-150	-168.9	179.2	51.8	-166.3	164.4	-152.7	0	107.4	D60 C95 H233 H325 Y327 H328 D345	D60-K338 IonicContact OD1-NZ 2.6Å; D60-K338 PolarHBondContact OD1-NZ 3.18Å; D60-K338 IonicContact OD2-NZ 3.88Å; D60-K338 PolarHBondContact OD2-NZ 3.31Å; C95-K338 PolarHBondContact SG-NZ 2.65Å; H233-K338 PolarHBondContact CD2-NZ 2.74Å; H233-K338 VanDerWaalsContact CD2-NZ 3.3Å; H233-K338 PolarHBondContact NE2-NZ 3.15Å; H233-K338 VanDerWaalsContact NE2-NZ 3.19Å; H325-K338 WeakPolarHBondContact CE1-CD 3.24Å; Y327-K338 HydrophobicContact CD2-CB 4.25Å; H328-K338 PolarHBondContact CE1-N 2.58Å; H328-K338 PolarHBondContact CE1-O 3.35Å; H328-K338 VanDerWaalsContact CE1-O 3.3Å; K338-D345 WeakPolarHBondContact CA-OD2 3.45Å
339	S	91.7	Very high	94.6	Very high	1 Å²	1	7 Å²	7	1%	0.007	3%	0.034	C	C	.	.			trans	85.9	9.8	168.6	93.5	0	0	0	0	117.8	P93 M94 D345 R423 S771 Y777	P93-S339 VanDerWaalsContact O-CA 3.3Å; P93-S339 WeakPolarHBondContact O-CA 3.27Å; P93-S339 PolarHBondContact O-N 3.36Å; M94-S339 WeakPolarHBondContact SD-CB 3.32Å; S339-D345 PolarHBondContact N-OD2 2.93Å; S339-R423 VanDerWaalsContact CB-NE 3.31Å; S339-R423 VanDerWaalsContact O-CD 3.29Å; S339-R423 WeakPolarHBondContact O-CD 3.23Å; S339-R423 PolarHBondContact O-NH1 2.85Å; S339-S771 WeakPolarHBondContact OG-CB 3.38Å; S339-S771 PolarHBondContact OG-OG 3.33Å; S339-Y777 VanDerWaalsContact C-OH 3.28Å; S339-Y777 WeakPolarHBondContact O-CE1 3.36Å; S339-Y777 PolarHBondContact O-OH 3.41Å
340	M	93.8	Very high	94.8	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	4%	0.035	C	C	.	.			trans	-100.2	157.2	173.6	-54.5	-52.3	170	0	0	112	P93 H266 I268 L334 Y342 F344 D345 T770 Y777	P93-M340 WeakPolarHBondContact CG-O 3.44Å; H266-M340 VanDerWaalsContact CE1-SD 3.57Å; I268-M340 HydrophobicContact CD1-CE 4.07Å; I268-M340 HydrophobicContact CG2-CE 4.28Å; L334-M340 HydrophobicContact CD1-CE 3.77Å; L334-M340 HydrophobicContact CD1-CG 3.81Å; L334-M340 HydrophobicContact CD1-SD 4.45Å; L334-M340 HydrophobicContact CD2-CE 4.26Å; M340-Y342 VanDerWaalsContact C-N 3.32Å; M340-Y342 HydrophobicContact CB-CD2 3.71Å; M340-Y342 HydrophobicContact CB-CE2 4.11Å; M340-Y342 PolarHBondContact O-N 3.39Å; M340-F344 HydrophobicContact CB-CE2 4.31Å; M340-D345 WeakPolarHBondContact CA-OD2 3.25Å; M340-D345 WeakPolarHBondContact CB-OD2 3.48Å; M340-D345 PolarHBondContact N-OD2 3.49Å; M340-D345 WeakPolarHBondContact O-CB 3.39Å; M340-T770 WeakPolarHBondContact CE-O 3.43Å; M340-Y777 VanDerWaalsContact C-OH 3.24Å; M340-Y777 PolarHBondContact O-OH 3.31Å
341	P	95.1	Very high	94.9	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	4%	0.036	C	C	.	.	S	Bend	trans	-81.2	-4.6	-174.9	32.7	-36.7	0	0	0	115.4	Y777 C779 L790 C792 F794	P341-Y777 HydrophobicContact CB-CD2 4.16Å; P341-Y777 HydrophobicContact CB-CE2 3.81Å; P341-C779 WeakPolarHBondContact CB-SG 3.49Å; P341-L790 WeakPolarHBondContact O-CD2 3.31Å; P341-C792 VanDerWaalsContact CB-SG 3.59Å; P341-F794 HydrophobicContact CG-CZ 4.16Å
342	Y	96.6	Very high	95	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	4%	0.036	C	C	.	.	S	Bend	trans	-76.3	157.3	-172.3	-52.3	-64.2	0	0	0	113	H266 L269 F332 M340 F344 D345 I346 E800 F802 Q810	H266-Y342 PolarHBondContact CD2-OH 2.83Å; L269-Y342 HydrophobicContact CD1-CE2 3.77Å; F332-Y342 HydrophobicContact CD2-CD2 4.03Å; F332-Y342 HydrophobicContact CD2-CE2 4.02Å; F332-Y342 HydrophobicContact CE2-CD1 4.13Å; F332-Y342 AromaticContact CE2-CD2 3.77Å; F332-Y342 HydrophobicContact CE2-CD2 3.77Å; F332-Y342 HydrophobicContact CE2-CE1 4.3Å; F332-Y342 AromaticContact CE2-CE2 3.94Å; F332-Y342 HydrophobicContact CE2-CE2 3.94Å; F332-Y342 AromaticContact CE2-CG 3.88Å; F332-Y342 HydrophobicContact CE2-CG 3.88Å; M340-Y342 VanDerWaalsContact C-N 3.32Å; M340-Y342 HydrophobicContact CB-CD2 3.71Å; M340-Y342 HydrophobicContact CB-CE2 4.11Å; M340-Y342 PolarHBondContact O-N 3.39Å; Y342-F344 VanDerWaalsContact CB-CE1 3.46Å; Y342-F344 HydrophobicContact CD2-CE1 4.1Å; Y342-F344 HydrophobicContact CD2-CE2 4.24Å; Y342-F344 AromaticContact CD2-CZ 3.54Å; Y342-F344 HydrophobicContact CD2-CZ 3.54Å; Y342-F344 HydrophobicContact CG-CE1 4.03Å; Y342-F344 AromaticContact CG-CZ 3.91Å; Y342-F344 HydrophobicContact CG-CZ 3.91Å; Y342-F344 PolarHBondContact O-N 3.29Å; Y342-D345 PolarHBondContact O-N 3.5Å; Y342-I346 PolarHBondContact O-N 3.08Å; Y342-E800 WeakPolarHBondContact CE1-OE2 3.49Å; Y342-E800 PolarHBondContact OH-OE1 3.03Å; Y342-E800 PolarHBondContact OH-OE2 2.96Å; Y342-F802 HydrophobicContact CD1-CE2 4.32Å; Y342-F802 AromaticContact CE1-CE2 3.69Å; Y342-F802 HydrophobicContact CE1-CE2 3.69Å; Y342-F802 AromaticContact CE1-CZ 3.88Å; Y342-F802 HydrophobicContact CE1-CZ 3.88Å; Y342-Q810 HydrophobicContact CD1-CB 3.87Å; Y342-Q810 HydrophobicContact CD1-CG 4.05Å; Y342-Q810 HydrophobicContact CE1-CB 4.33Å
343	E	95.9	Very high	94.9	Very high	9 Å²	9	9.2 Å²	9.2	4%	0.042	4%	0.043	C	C	.	.	H	α-helix	trans	-52.8	-37	-170.2	-65	-74.1	93.6	0	0	112.9	E64 D345 I346 R347 R781 L804 Q810	E64-E343 HydrophobicContact CG-CB 4.19Å; E343-D345 PolarHBondContact O-N 2.63Å; E343-I346 PolarHBondContact O-N 3.03Å; E343-R347 WeakPolarHBondContact O-CA 3.3Å; E343-R347 WeakPolarHBondContact O-CB 3.46Å; E343-R347 PolarHBondContact O-N 2.8Å; E343-R781 IonicContact OE1-CZ 2.75Å; E343-R781 IonicContact OE1-NE 3.84Å; E343-R781 PolarHBondContact OE1-NE 2.86Å; E343-R781 IonicContact OE1-NH2 2.72Å; E343-R781 PolarHBondContact OE1-NH2 3.41Å; E343-R781 IonicContact OE2-CZ 3.81Å; E343-R781 IonicContact OE2-NE 3.46Å; E343-R781 IonicContact OE2-NH2 3.15Å; E343-R781 PolarHBondContact OE2-NH2 3.05Å; E343-L804 HydrophobicContact CG-CD2 3.28Å; E343-Q810 VanDerWaalsContact N-OE1 3.14Å
344	F	95.4	Very high	94.9	Very high	9 Å²	9	9.8 Å²	9.8	4%	0.039	5%	0.049	C	C	.	.	H	α-helix	trans	-60.3	-29.8	179.6	53	-111.1	0	0	0	114.3	E64 G326 Y327 H328 Q331 F332 M340 Y342	E64-F344 HydrophobicContact CB-CB 4.13Å; E64-F344 HydrophobicContact CG-CB 4.4Å; G326-F344 CarbonylContact C-O 3.54Å; G326-F344 VanDerWaalsContact CA-O 3.32Å; G326-F344 WeakPolarHBondContact CA-O 3.13Å; Y327-F344 PolarHBondContact N-O 2.96Å; H328-F344 HydrophobicContact CB-CD2 3.59Å; H328-F344 HydrophobicContact CB-CE2 3.58Å; H328-F344 HydrophobicContact CB-CG 4.42Å; H328-F344 HydrophobicContact CB-CZ 4.38Å; H328-F344 AromaticContact CG-CE2 3.92Å; H328-F344 AromaticContact ND1-CE2 3.7Å; Q331-F344 HydrophobicContact CB-CD1 4.03Å; Q331-F344 HydrophobicContact CB-CE1 3.6Å; Q331-F344 HydrophobicContact CB-CE2 4.38Å; Q331-F344 HydrophobicContact CB-CZ 3.78Å; Q331-F344 HydrophobicContact CG-CD1 3.76Å; Q331-F344 HydrophobicContact CG-CE1 3.85Å; Q331-F344 HydrophobicContact CG-CG 4.25Å; Q331-F344 HydrophobicContact CG-CZ 4.43Å; F332-F344 AromaticContact CD2-CE1 3.99Å; F332-F344 HydrophobicContact CD2-CE1 3.99Å; F332-F344 AromaticContact CD2-CZ 3.95Å; F332-F344 HydrophobicContact CD2-CZ 3.95Å; F332-F344 AromaticContact CE2-CE1 3.73Å; F332-F344 HydrophobicContact CE2-CE1 3.73Å; F332-F344 HydrophobicContact CE2-CZ 4.06Å; M340-F344 HydrophobicContact CB-CE2 4.31Å; Y342-F344 VanDerWaalsContact CB-CE1 3.46Å; Y342-F344 HydrophobicContact CD2-CE1 4.1Å; Y342-F344 HydrophobicContact CD2-CE2 4.24Å; Y342-F344 AromaticContact CD2-CZ 3.54Å; Y342-F344 HydrophobicContact CD2-CZ 3.54Å; Y342-F344 HydrophobicContact CG-CE1 4.03Å; Y342-F344 AromaticContact CG-CZ 3.91Å; Y342-F344 HydrophobicContact CG-CZ 3.91Å; Y342-F344 PolarHBondContact O-N 3.29Å
345	D	96.3	Very high	94.8	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-95.1	-25.7	180	-92.9	8.7	0	0	0	112.2	P93 G326 Y327 H328 K338 S339 M340 Y342 E343	P93-D345 HydrophobicContact CB-CB 3.97Å; P93-D345 WeakPolarHBondContact CB-O 3.3Å; G326-D345 WeakPolarHBondContact CA-O 3.4Å; G326-D345 PolarHBondContact N-O 2.84Å; Y327-D345 VanDerWaalsContact C-OD1 3.24Å; Y327-D345 WeakPolarHBondContact CA-OD1 3.29Å; H328-D345 IonicContact CE1-OD1 2.58Å; H328-D345 IonicContact CE1-OD2 3.29Å; H328-D345 PolarHBondContact CE1-OD2 3.25Å; H328-D345 IonicContact CG-OD1 3.73Å; H328-D345 PolarHBondContact N-OD1 3.35Å; H328-D345 VanDerWaalsContact ND1-CG 3.33Å; H328-D345 IonicContact ND1-OD1 3.17Å; H328-D345 PolarHBondContact ND1-OD1 2.94Å; H328-D345 IonicContact ND1-OD2 2.21Å; H328-D345 PolarHBondContact ND1-OD2 2.04Å; K338-D345 WeakPolarHBondContact CA-OD2 3.45Å; S339-D345 PolarHBondContact N-OD2 2.93Å; M340-D345 WeakPolarHBondContact CA-OD2 3.25Å; M340-D345 WeakPolarHBondContact CB-OD2 3.48Å; M340-D345 PolarHBondContact N-OD2 3.49Å; M340-D345 WeakPolarHBondContact O-CB 3.39Å; Y342-D345 PolarHBondContact O-N 3.5Å; E343-D345 PolarHBondContact O-N 2.63Å
346	I	97	Very high	94.4	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-104.1	-30.1	-173.8	67.7	162.2	0	0	0	114.1	F89 S90 P93 Y342 E343 V421	F89-I346 CarbonylContact C-O 3.56Å; F89-I346 WeakPolarHBondContact CA-O 3.49Å; F89-I346 HydrophobicContact CD1-CD1 4.02Å; F89-I346 HydrophobicContact CD1-CG1 4.08Å; F89-I346 HydrophobicContact CE1-CD1 4.41Å; S90-I346 PolarHBondContact N-O 3.43Å; P93-I346 HydrophobicContact CB-CG2 4.26Å; P93-I346 HydrophobicContact CG-CG2 4.21Å; Y342-I346 PolarHBondContact O-N 3.08Å; E343-I346 PolarHBondContact O-N 3.03Å; I346-V421 HydrophobicContact CD1-CG2 3.91Å; I346-V421 HydrophobicContact CG2-CG1 3.85Å; I346-V421 HydrophobicContact CG2-CG2 4.49Å
347	R	97.1	Very high	94.4	Very high	56 Å²	56	15.1 Å²	15.1	21%	0.211	8%	0.079	C	C	.	.	B	Isolated β-bridge	trans	-86.4	134.4	-176.5	-160.9	-171.9	-175.7	176.7	9.6	110	I63 E64 S86 A88 F89 E343	I63-R347 HydrophobicContact CG2-CB 3.92Å; I63-R347 HydrophobicContact CG2-CG 3.69Å; E64-R347 WeakPolarHBondContact OE1-CD 3.41Å; E64-R347 IonicContact OE1-CZ 2.71Å; E64-R347 IonicContact OE1-NE 3.57Å; E64-R347 IonicContact OE1-NH1 3.58Å; E64-R347 PolarHBondContact OE1-NH1 3.29Å; S86-R347 PolarHBondContact O-NE 2.99Å; S86-R347 PolarHBondContact O-NH2 3.24Å; A88-R347 WeakPolarHBondContact O-CG 3.21Å; F89-R347 HydrophobicContact CD1-CB 3.9Å; F89-R347 HydrophobicContact CD1-CG 3.98Å; F89-R347 HydrophobicContact CE1-CB 3.83Å; F89-R347 HydrophobicContact CE1-CG 3.64Å; F89-R347 HydrophobicContact CZ-CG 4.2Å; E343-R347 WeakPolarHBondContact O-CA 3.3Å; E343-R347 WeakPolarHBondContact O-CB 3.46Å; E343-R347 PolarHBondContact O-N 2.8Å
348	V	97.8	Very high	94.4	Very high	5 Å²	5	19.4 Å²	19.4	3%	0.03	10%	0.097	C	C	.	.			trans	-128	151.8	-172.4	-67.6	0	0	0	0	111.3	A88	A88-V348 HydrophobicContact CB-CG2 4.25Å; A88-V348 PolarHBondContact O-N 2.88Å
349	P	97.3	Very high	94.4	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.122	C	C	.	.			trans	-60.7	140.2	164.5	27.3	-34.3	0	0	0	110	Q61 M68 Y321 T322 Y351	Q61-P349 HydrophobicContact CG-CG 4.31Å; M68-P349 HydrophobicContact CG-CB 3.73Å; M68-P349 HydrophobicContact CG-CG 4.38Å; M68-P349 HydrophobicContact SD-CB 3.64Å; M68-P349 HydrophobicContact SD-CG 4.04Å; Y321-P349 HydrophobicContact CE1-CB 4.27Å; Y321-P349 HydrophobicContact CE1-CG 4.19Å; T322-P349 VanDerWaalsContact CA-O 3.3Å; T322-P349 WeakPolarHBondContact CA-O 3.26Å; T322-P349 PolarHBondContact OG1-O 3.03Å; P349-Y351 HydrophobicContact CB-CE2 3.9Å
350	F	97.7	Very high	94.4	Very high	5 Å²	5	27 Å²	27	2%	0.022	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	117.1	174.9	-166.7	-79.2	0	0	0	111.1	F85 A88 I320 Y321 V352 V367 L372 I393	F85-F350 HydrophobicContact CB-CB 4.42Å; F85-F350 HydrophobicContact CB-CD1 4.01Å; F85-F350 AromaticContact CD2-CD1 3.64Å; F85-F350 HydrophobicContact CD2-CD1 3.64Å; F85-F350 AromaticContact CD2-CE1 3.92Å; F85-F350 HydrophobicContact CD2-CE1 3.92Å; F85-F350 HydrophobicContact CE2-CD1 4.41Å; F85-F350 HydrophobicContact CE2-CE1 4.26Å; F85-F350 HydrophobicContact CG-CD1 4.05Å; F85-F350 HydrophobicContact CG-CE1 4.49Å; F85-F350 PolarHBondContact N-O 2.64Å; A88-F350 HydrophobicContact CB-CB 3.21Å; A88-F350 HydrophobicContact CB-CD2 4.29Å; A88-F350 HydrophobicContact CB-CG 3.89Å; I320-F350 HydrophobicContact CG2-CZ 4.39Å; Y321-F350 WeakPolarHBondContact O-CA 3.49Å; F350-V352 HydrophobicContact CD1-CG2 4.22Å; F350-V352 HydrophobicContact CE1-CG2 3.54Å; F350-V352 HydrophobicContact CZ-CG2 4.3Å; F350-V367 HydrophobicContact CD1-CG1 4.29Å; F350-V367 HydrophobicContact CD2-CG1 4.17Å; F350-V367 HydrophobicContact CE1-CG1 3.89Å; F350-V367 HydrophobicContact CE2-CG1 3.74Å; F350-V367 HydrophobicContact CG-CG1 4.43Å; F350-V367 HydrophobicContact CZ-CG1 3.6Å; F350-L372 HydrophobicContact CE2-CD2 3.74Å; F350-L372 HydrophobicContact CE2-CG 4.17Å; F350-L372 HydrophobicContact CZ-CD2 3.97Å; F350-I393 HydrophobicContact CE1-CD1 3.59Å; F350-I393 HydrophobicContact CZ-CD1 3.79Å
351	Y	97.5	Very high	94.3	Very high	5 Å²	5	28 Å²	28	2%	0.02	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	141.8	-178.8	-52.3	-92.8	0	0	0	110.7	M68 M78 E79 H84 I320 Y321 P349	M68-Y351 HydrophobicContact CE-CE2 3.63Å; M68-Y351 HydrophobicContact CG-CE2 4.35Å; M68-Y351 HydrophobicContact SD-CE2 4.08Å; M78-Y351 HydrophobicContact CB-CD1 4.38Å; M78-Y351 HydrophobicContact CB-CG 4.12Å; E79-Y351 HydrophobicContact CG-CD1 3.86Å; E79-Y351 HydrophobicContact CG-CE1 3.32Å; E79-Y351 WeakPolarHBondContact OE1-CE1 3.17Å; E79-Y351 PolarHBondContact OE1-OH 2.89Å; H84-Y351 HydrophobicContact CB-CD1 3.64Å; H84-Y351 HydrophobicContact CB-CE1 3.77Å; H84-Y351 AromaticContact CD2-CD1 3.6Å; H84-Y351 AromaticContact CD2-CE1 3.22Å; H84-Y351 WeakPolarHBondContact CD2-CE1 3.22Å; H84-Y351 AromaticContact CD2-CZ 3.83Å; H84-Y351 AromaticContact CG-CD1 3.88Å; H84-Y351 AromaticContact CG-CE1 3.57Å; I320-Y351 WeakPolarHBondContact CA-O 3.33Å; Y321-Y351 AromaticContact CD1-CD2 3.9Å; Y321-Y351 HydrophobicContact CD1-CD2 3.9Å; Y321-Y351 HydrophobicContact CD1-CE2 4.38Å; Y321-Y351 PolarHBondContact N-O 3.35Å; Y321-Y351 PolarHBondContact O-N 2.93Å; P349-Y351 HydrophobicContact CB-CE2 3.9Å
352	V	97.1	Very high	94.2	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	132.5	176.4	-173.7	0	0	0	0	109.8	G82 T83 F85 L319 I320 F350 V357 M379 I393 L397	G82-V352 CarbonylContact C-O 3.47Å; G82-V352 WeakPolarHBondContact CA-O 3.41Å; T83-V352 PolarHBondContact N-O 2.87Å; T83-V352 PolarHBondContact O-N 3.03Å; F85-V352 HydrophobicContact CE2-CG2 4.24Å; L319-V352 WeakPolarHBondContact O-CA 3.34Å; I320-V352 HydrophobicContact CG1-CG1 4.24Å; I320-V352 HydrophobicContact CG1-CG2 4.38Å; I320-V352 HydrophobicContact CG2-CG2 4.46Å; F350-V352 HydrophobicContact CD1-CG2 4.22Å; F350-V352 HydrophobicContact CE1-CG2 3.54Å; F350-V352 HydrophobicContact CZ-CG2 4.3Å; V352-V357 HydrophobicContact CG1-CG2 4.25Å; V352-V357 WeakPolarHBondContact O-CG1 3.27Å; V352-M379 HydrophobicContact CG1-CE 4.34Å; V352-I393 HydrophobicContact CG2-CD1 4.27Å; V352-L397 HydrophobicContact CB-CD1 4.48Å; V352-L397 HydrophobicContact CB-CD2 3.9Å; V352-L397 HydrophobicContact CG1-CD1 3.91Å; V352-L397 HydrophobicContact CG1-CD2 4.09Å; V352-L397 HydrophobicContact CG2-CD2 4.28Å
353	R	95	Very high	94	Very high	35 Å²	35	33.2 Å²	33.2	13%	0.132	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	146.5	169	170.9	166.1	-170.8	153.7	5.8	108.8	I77 M78 G81 Y318 L319	I77-R353 PolarHBondContact O-NH1 2.7Å; M78-R353 HydrophobicContact CE-CB 4.21Å; M78-R353 HydrophobicContact SD-CB 4.25Å; G81-R353 VanDerWaalsContact O-CD 3.26Å; G81-R353 WeakPolarHBondContact O-CD 3.45Å; G81-R353 VanDerWaalsContact O-CG 3.26Å; G81-R353 WeakPolarHBondContact O-CG 3.3Å; G81-R353 PolarHBondContact O-NE 2.88Å; Y318-R353 CarbonylContact C-O 3.56Å; Y318-R353 WeakPolarHBondContact CA-O 3.49Å; L319-R353 HydrophobicContact CB-CB 4.46Å; L319-R353 PolarHBondContact N-O 2.84Å; L319-R353 PolarHBondContact O-N 3.24Å
354	G	93.1	Very high	93.9	Very high	17 Å²	17	36.7 Å²	36.7	18%	0.175	21%	0.209	C	C	.	.	S	Bend	trans	156.2	-170.2	173.5	0	0	0	0	0	114.6	T317 N356 V357	T317-G354 VanDerWaalsContact O-CA 3.3Å; T317-G354 WeakPolarHBondContact O-CA 3.5Å; G354-N356 PolarHBondContact O-N 3.23Å; G354-V357 WeakPolarHBondContact O-CB 3.33Å; G354-V357 PolarHBondContact O-N 3.14Å
355	P	90.1	Very high	93.8	Very high	17 Å²	17	39 Å²	39	11%	0.11	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	131.7	-177.7	23.3	-32.3	0	0	0	112.6	P51 Y318 V357	P51-P355 HydrophobicContact CB-CG 4.38Å; Y318-P355 HydrophobicContact CD1-CG 4.4Å; Y318-P355 HydrophobicContact CD2-CG 4.49Å; Y318-P355 HydrophobicContact CE1-CG 3.94Å; Y318-P355 WeakPolarHBondContact CE1-O 3.33Å; Y318-P355 HydrophobicContact CE2-CG 4.07Å; Y318-P355 PolarHBondContact OH-O 3.31Å; P355-V357 PolarHBondContact O-N 2.81Å
356	N	85.6	Confident	93.7	Very high	105 Å²	105	39.1 Å²	39.1	56%	0.561	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.2	17.4	-175.5	-34.8	-87.6	0	0	0	115.1	Q41 G354	Q41-N356 PolarHBondContact NE2-OD1 2.97Å; G354-N356 PolarHBondContact O-N 3.23Å
357	V	90.8	Very high	93.7	Very high	15 Å²	15	39.1 Å²	39.1	9%	0.091	22%	0.221	C	C	.	.	B	Isolated β-bridge	trans	-92.2	137.9	169.7	-176.6	0	0	0	0	109.4	T83 Y318 V352 G354 P355 L397	T83-V357 WeakPolarHBondContact OG1-CG1 3.43Å; Y318-V357 HydrophobicContact CD1-CG2 4.26Å; Y318-V357 HydrophobicContact CE1-CG2 3.98Å; V352-V357 HydrophobicContact CG1-CG2 4.25Å; V352-V357 WeakPolarHBondContact O-CG1 3.27Å; G354-V357 WeakPolarHBondContact O-CB 3.33Å; G354-V357 PolarHBondContact O-N 3.14Å; P355-V357 PolarHBondContact O-N 2.81Å; V357-L397 HydrophobicContact CG1-CD2 4.01Å; V357-L397 HydrophobicContact CG2-CB 4.46Å; V357-L397 HydrophobicContact CG2-CD1 4.43Å; V357-L397 HydrophobicContact CG2-CD2 4.36Å
358	E	90.3	Very high	93.8	Very high	98 Å²	98	36.6 Å²	36.6	46%	0.458	21%	0.211	S	C	.	.	P	Polyproline II helix	trans	-77.8	134.6	179.9	-159.4	164.8	136.8	0	0	111.3	G82 T83 A361 S399	G82-E358 CarbonylContact C-O 3.48Å; T83-E358 PolarHBondContact N-O 2.9Å; T83-E358 PolarHBondContact OG1-O 2.98Å; E358-A361 HydrophobicContact CB-CB 3.84Å; E358-A361 HydrophobicContact CG-CB 3.97Å; E358-S399 WeakPolarHBondContact OE2-CB 3.36Å; E358-S399 PolarHBondContact OE2-OG 3.29Å
359	Q	91.8	Very high	93.7	Very high	140 Å²	140	36.7 Å²	36.7	65%	0.654	21%	0.212	S	C	*	.	S	Bend	trans	-91.8	130.8	-174.8	-59	-176.7	20.5	0	0	110.8	A361	Q359-A361 PolarHBondContact O-N 3.08Å
360	G	90.5	Very high	93.8	Very high	51 Å²	51	36.7 Å²	36.7	53%	0.526	21%	0.212	S	C	.	.	S	Bend	trans	80.4	-0.9	-177.2	0	0	0	0	0	114.2	E79 K80 G82	E79-G360 WeakPolarHBondContact O-CA 3.48Å; E79-G360 PolarHBondContact O-N 3.14Å; K80-G360 PolarHBondContact O-N 2.82Å; G82-G360 PolarHBondContact O-N 3.45Å
361	A	92.3	Very high	93.8	Very high	21 Å²	21	36.5 Å²	36.5	17%	0.174	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	142.1	-175.1	0	0	0	0	0	112.2	T83 H84 E358 Q359	T83-A361 WeakPolarHBondContact CA-O 3.49Å; T83-A361 HydrophobicContact CG2-CB 4.31Å; H84-A361 PolarHBondContact N-O 2.99Å; E358-A361 HydrophobicContact CB-CB 3.84Å; E358-A361 HydrophobicContact CG-CB 3.97Å; Q359-A361 PolarHBondContact O-N 3.08Å
362	T	93.6	Very high	93.8	Very high	92 Å²	92	36.4 Å²	36.4	56%	0.564	21%	0.211	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-111.7	126.8	166.1	-64.4	0	0	0	0	109.5	H84	H84-T362 CarbonylContact O-C 3.54Å; H84-T362 WeakPolarHBondContact O-CA 3.43Å
363	N	92.4	Very high	93.8	Very high	18 Å²	18	36.4 Å²	36.4	10%	0.096	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	119.4	-175.5	-167.2	-31.9	0	0	0	110.3	T83 H84 F85 S86 H365 L396	T83-N363 HydrophobicContact CG2-CB 3.7Å; H84-N363 PolarHBondContact O-N 3.11Å; F85-N363 WeakPolarHBondContact CA-O 3.23Å; F85-N363 HydrophobicContact CD1-CB 3.71Å; F85-N363 HydrophobicContact CE1-CB 3.7Å; F85-N363 VanDerWaalsContact CE1-CG 3.42Å; F85-N363 WeakPolarHBondContact CE1-ND2 3.33Å; F85-N363 HydrophobicContact CG-CB 4.22Å; F85-N363 HydrophobicContact CZ-CB 4.17Å; S86-N363 PolarHBondContact N-O 2.87Å; N363-H365 PolarHBondContact OD1-N 2.73Å; N363-H365 PolarHBondContact OD1-ND1 3.29Å; N363-L396 PolarHBondContact ND2-O 3.02Å
364	P	92.9	Very high	93.9	Very high	81 Å²	81	34.7 Å²	34.7	53%	0.526	20%	0.204	S	C	.	.			trans	-87	-1.2	-175.2	34.9	-36.8	0	0	0	114.4	N87	N87-P364 PolarHBondContact ND2-O 3.47Å
365	H	93.8	Very high	94.1	Very high	58 Å²	58	34 Å²	34	27%	0.269	20%	0.197	S	C	.	.	S	Bend	trans	-69.8	145.5	-179.7	-64.3	87.9	0	0	0	111.7	N363 V367 L396 W415	N363-H365 PolarHBondContact OD1-N 2.73Å; N363-H365 PolarHBondContact OD1-ND1 3.29Å; H365-V367 PolarHBondContact O-N 3.35Å; H365-L396 HydrophobicContact CB-CD1 3.7Å; H365-L396 HydrophobicContact CB-CD2 4.13Å; H365-W415 HydrophobicContact CB-CG 4.37Å
366	I	95.1	Very high	94.5	Very high	3 Å²	3	33.2 Å²	33.2	2%	0.015	19%	0.192	C	C	.	.			trans	-70.6	117	-175.9	-56	179.1	0	0	0	111.6	N87 F89 L368 W415 R416 D417 F419 I783	N87-I366 WeakPolarHBondContact O-CA 3.29Å; F89-I366 HydrophobicContact CD2-CG2 4.21Å; I366-L368 HydrophobicContact CG2-CD2 4.01Å; I366-L368 HydrophobicContact CG2-CG 4.47Å; I366-W415 PolarHBondContact O-NE1 2.96Å; I366-R416 HydrophobicContact CB-CG 4.21Å; I366-R416 HydrophobicContact CG2-CG 4.49Å; I366-R416 PolarHBondContact O-NH1 2.91Å; I366-R416 VanDerWaalsContact O-NH1 3.14Å; I366-D417 WeakPolarHBondContact CD1-O 3.38Å; I366-F419 HydrophobicContact CD1-CD1 4.13Å; I366-F419 HydrophobicContact CD1-CE1 4.37Å; I366-F419 HydrophobicContact CG2-CD1 3.54Å; I366-F419 HydrophobicContact CG2-CE1 3.65Å; I366-F419 HydrophobicContact CG2-CG 4.36Å; I366-I783 HydrophobicContact CD1-CB 3.94Å; I366-I783 HydrophobicContact CD1-CG1 4.3Å; I366-I783 HydrophobicContact CG1-CB 4.22Å; I366-I783 HydrophobicContact CG1-CD1 4.49Å
367	V	96.8	Very high	95	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	139.5	175.5	178.8	0	0	0	0	110.9	F85 N87 A88 F89 F350 H365 I393	F85-V367 HydrophobicContact CB-CG2 4.31Å; F85-V367 HydrophobicContact CD1-CB 4.44Å; F85-V367 HydrophobicContact CD1-CG2 3.28Å; F85-V367 HydrophobicContact CE1-CG2 3.63Å; F85-V367 HydrophobicContact CG-CG2 3.85Å; F85-V367 HydrophobicContact CZ-CG2 4.45Å; N87-V367 PolarHBondContact O-N 2.89Å; A88-V367 CarbonylContact C-O 3.54Å; A88-V367 VanDerWaalsContact CA-O 3.3Å; A88-V367 WeakPolarHBondContact CA-O 3.11Å; A88-V367 HydrophobicContact CB-CB 4.41Å; F89-V367 PolarHBondContact N-O 3.22Å; F350-V367 HydrophobicContact CD1-CG1 4.29Å; F350-V367 HydrophobicContact CD2-CG1 4.17Å; F350-V367 HydrophobicContact CE1-CG1 3.89Å; F350-V367 HydrophobicContact CE2-CG1 3.74Å; F350-V367 HydrophobicContact CG-CG1 4.43Å; F350-V367 HydrophobicContact CZ-CG1 3.6Å; H365-V367 PolarHBondContact O-N 3.35Å; V367-I393 HydrophobicContact CB-CG2 4.47Å; V367-I393 HydrophobicContact CG1-CD1 4.39Å; V367-I393 HydrophobicContact CG1-CG2 3.99Å; V367-I393 HydrophobicContact CG2-CG2 3.82Å
368	L	97.7	Very high	95.2	Very high	2 Å²	2	30.2 Å²	30.2	1%	0.01	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	153.4	-176.3	-55.4	177.4	0	0	0	112.3	F89 T91 Y107 I366 V370 D371 F419	F89-L368 HydrophobicContact CB-CD2 4.03Å; F89-L368 WeakPolarHBondContact O-CA 3.3Å; T91-L368 HydrophobicContact CG2-CB 4.19Å; T91-L368 HydrophobicContact CG2-CD1 4.13Å; T91-L368 HydrophobicContact CG2-CD2 4.38Å; T91-L368 HydrophobicContact CG2-CG 4.46Å; Y107-L368 WeakPolarHBondContact OH-CD1 3.39Å; I366-L368 HydrophobicContact CG2-CD2 4.01Å; I366-L368 HydrophobicContact CG2-CG 4.47Å; L368-V370 HydrophobicContact CB-CG2 3.65Å; L368-V370 HydrophobicContact CD1-CG2 4.04Å; L368-V370 PolarHBondContact O-N 3.04Å; L368-V370 VanDerWaalsContact O-N 3.14Å; L368-D371 PolarHBondContact N-OD2 2.67Å; L368-D371 WeakPolarHBondContact O-CB 3.27Å; L368-D371 PolarHBondContact O-N 3.1Å; L368-F419 HydrophobicContact CD1-CB 3.74Å; L368-F419 HydrophobicContact CD1-CD2 4.23Å; L368-F419 HydrophobicContact CD1-CG 4.14Å; L368-F419 HydrophobicContact CD2-CB 4.19Å; L368-F419 HydrophobicContact CD2-CD1 4.12Å; L368-F419 HydrophobicContact CD2-CD2 3.37Å; L368-F419 HydrophobicContact CD2-CE1 4.3Å; L368-F419 HydrophobicContact CD2-CE2 3.6Å; L368-F419 HydrophobicContact CD2-CG 3.64Å; L368-F419 HydrophobicContact CD2-CZ 4.06Å; L368-F419 HydrophobicContact CG-CD2 4.45Å; L368-F419 HydrophobicContact CG-CG 4.5Å
369	N	97.5	Very high	95.4	Very high	7 Å²	7	26 Å²	26	4%	0.037	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-53.1	-31.2	171.2	68.5	-22.3	0	0	0	113.5	F89 S90 T91 S98 I102 D371	F89-N369 PolarHBondContact O-N 2.79Å; S90-N369 PolarHBondContact OG-ND2 2.79Å; T91-N369 WeakPolarHBondContact CB-OD1 3.31Å; T91-N369 VanDerWaalsContact CG2-OD1 3.24Å; T91-N369 WeakPolarHBondContact CG2-OD1 3.33Å; T91-N369 PolarHBondContact N-OD1 3.35Å; T91-N369 VanDerWaalsContact N-OD1 3.15Å; T91-N369 PolarHBondContact OG1-ND2 3.45Å; T91-N369 PolarHBondContact OG1-OD1 3.08Å; S98-N369 PolarHBondContact OG-ND2 3.13Å; I102-N369 HydrophobicContact CD1-CB 4.39Å; I102-N369 HydrophobicContact CG1-CB 3.81Å; N369-D371 VanDerWaalsContact C-N 3.3Å; N369-D371 PolarHBondContact O-N 2.85Å
370	V	97.7	Very high	95.5	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	12%	0.123	C	C	.	.	G	3₁₀ helix	trans	-69.8	-18.9	173.8	-68.2	0	0	0	0	114.4	T91 G105 K106 L368 L372 P374	T91-V370 HydrophobicContact CG2-CG1 4.34Å; T91-V370 HydrophobicContact CG2-CG2 4.22Å; G105-V370 WeakPolarHBondContact CA-O 3.32Å; K106-V370 WeakPolarHBondContact O-CG1 3.36Å; L368-V370 HydrophobicContact CB-CG2 3.65Å; L368-V370 HydrophobicContact CD1-CG2 4.04Å; L368-V370 PolarHBondContact O-N 3.04Å; L368-V370 VanDerWaalsContact O-N 3.14Å; V370-L372 VanDerWaalsContact C-N 3.34Å; V370-P374 WeakPolarHBondContact O-CD 3.29Å
371	D	97.9	Very high	95.6	Very high	1 Å²	1	20 Å²	20	1%	0.005	13%	0.128	C	C	.	.	G	3₁₀ helix	trans	-79.8	-17.7	-178.8	-60.8	-32.4	0	0	0	112.8	L368 N369 P374 T375 G390 K391 I393 R416	L368-D371 PolarHBondContact N-OD2 2.67Å; L368-D371 WeakPolarHBondContact O-CB 3.27Å; L368-D371 PolarHBondContact O-N 3.1Å; N369-D371 VanDerWaalsContact C-N 3.3Å; N369-D371 PolarHBondContact O-N 2.85Å; D371-P374 WeakPolarHBondContact O-CD 3.41Å; D371-P374 WeakPolarHBondContact O-CG 3.35Å; D371-T375 WeakPolarHBondContact O-CB 3.42Å; D371-T375 PolarHBondContact O-N 3.49Å; D371-T375 PolarHBondContact O-OG1 2.82Å; D371-G390 WeakPolarHBondContact OD1-CA 3.27Å; D371-K391 WeakPolarHBondContact CB-O 3.45Å; D371-K391 VanDerWaalsContact CG-O 3.28Å; D371-K391 PolarHBondContact OD1-N 3.23Å; D371-I393 HydrophobicContact CB-CG2 4.12Å; D371-R416 IonicContact OD1-CZ 2.68Å; D371-R416 IonicContact OD1-NH1 2.66Å; D371-R416 IonicContact OD1-NH2 3.59Å; D371-R416 PolarHBondContact OD1-NH2 3.45Å; D371-R416 IonicContact OD2-CZ 3.52Å; D371-R416 IonicContact OD2-NH1 2.74Å; D371-R416 PolarHBondContact OD2-NH1 2.84Å; D371-R416 IonicContact OD2-NH2 3.82Å; D371-R416 PolarHBondContact OD2-NH2 3.29Å
372	L	98	Very high	95.6	Very high	3 Å²	3	20.3 Å²	20.3	2%	0.016	13%	0.129	C	C	.	.	H	α-helix	trans	-61.1	-49	-177	-77	164.5	0	0	0	112.2	L55 I102 I320 T322 F350 V370 T375 M376	L55-L372 HydrophobicContact CD1-CD2 4.22Å; I102-L372 HydrophobicContact CG1-CD1 4.14Å; I102-L372 HydrophobicContact CG2-CB 4.44Å; I102-L372 HydrophobicContact CG2-CD1 3.99Å; I320-L372 HydrophobicContact CG2-CD2 3.93Å; T322-L372 HydrophobicContact CG2-CD1 4.03Å; F350-L372 HydrophobicContact CE2-CD2 3.74Å; F350-L372 HydrophobicContact CE2-CG 4.17Å; F350-L372 HydrophobicContact CZ-CD2 3.97Å; V370-L372 VanDerWaalsContact C-N 3.34Å; L372-T375 PolarHBondContact O-N 3.2Å; L372-M376 HydrophobicContact CB-CE 4.27Å; L372-M376 WeakPolarHBondContact O-CE 3.48Å; L372-M376 WeakPolarHBondContact O-CG 3.37Å; L372-M376 PolarHBondContact O-N 3.1Å
373	A	97.7	Very high	95.6	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-56.6	-58.6	177.8	0	0	0	0	0	113	F134 T375 M376 L377 M388	F134-A373 HydrophobicContact CB-CB 4.03Å; F134-A373 HydrophobicContact CD1-CB 4.08Å; F134-A373 HydrophobicContact CG-CB 4.5Å; A373-T375 VanDerWaalsContact C-N 3.27Å; A373-T375 PolarHBondContact O-N 3.36Å; A373-M376 PolarHBondContact O-N 3.19Å; A373-L377 WeakPolarHBondContact O-CG 3.44Å; A373-L377 PolarHBondContact O-N 2.95Å; A373-M388 HydrophobicContact CB-CE 4.12Å; A373-M388 HydrophobicContact CB-SD 4.02Å
374	P	97.4	Very high	95.8	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-63.7	-30.4	178.8	23.9	-33.1	0	0	0	113.1	V370 D371 L377 E378 I384 M388	V370-P374 WeakPolarHBondContact O-CD 3.29Å; D371-P374 WeakPolarHBondContact O-CD 3.41Å; D371-P374 WeakPolarHBondContact O-CG 3.35Å; P374-L377 PolarHBondContact O-N 3.45Å; P374-E378 PolarHBondContact O-N 2.84Å; P374-I384 HydrophobicContact CB-CD1 3.92Å; P374-I384 HydrophobicContact CB-CG1 4.13Å; P374-I384 HydrophobicContact CB-CG2 3.69Å; P374-M388 HydrophobicContact CB-SD 4.25Å
375	T	96.9	Very high	95.9	Very high	3 Å²	3	22.8 Å²	22.8	2%	0.018	14%	0.135	C	C	.	.	H	α-helix	trans	-65.2	-45.7	174.7	-57.9	0	0	0	0	111.8	D371 L372 A373 L377 E378 M379 S392 I393	D371-T375 WeakPolarHBondContact O-CB 3.42Å; D371-T375 PolarHBondContact O-N 3.49Å; D371-T375 PolarHBondContact O-OG1 2.82Å; L372-T375 PolarHBondContact O-N 3.2Å; A373-T375 VanDerWaalsContact C-N 3.27Å; A373-T375 PolarHBondContact O-N 3.36Å; T375-L377 PolarHBondContact O-N 2.83Å; T375-E378 PolarHBondContact O-N 2.96Å; T375-M379 HydrophobicContact CG2-CE 3.74Å; T375-M379 HydrophobicContact CG2-CG 4.32Å; T375-M379 HydrophobicContact CG2-SD 4.03Å; T375-M379 WeakPolarHBondContact O-CB 3.33Å; T375-M379 VanDerWaalsContact O-CG 3.26Å; T375-M379 WeakPolarHBondContact O-CG 3Å; T375-M379 PolarHBondContact O-N 3.03Å; T375-S392 WeakPolarHBondContact CA-OG 3.43Å; T375-S392 WeakPolarHBondContact OG1-CA 3.23Å; T375-I393 HydrophobicContact CG2-CG1 3.61Å; T375-I393 PolarHBondContact OG1-N 3.37Å
376	M	97.4	Very high	95.8	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-66	-27.9	178.7	-70	-175.6	-73.5	0	0	112.5	I53 L55 F134 L138 L224 I320 L372 A373 A380	I53-M376 HydrophobicContact CD1-CB 4.24Å; I53-M376 WeakPolarHBondContact CD1-O 3.44Å; I53-M376 HydrophobicContact CG2-CG 3.89Å; I53-M376 HydrophobicContact CG2-SD 3.94Å; L55-M376 HydrophobicContact CD2-CE 4.2Å; L55-M376 HydrophobicContact CD2-SD 4.34Å; F134-M376 HydrophobicContact CD1-CE 3.65Å; F134-M376 HydrophobicContact CD2-CE 3.64Å; F134-M376 HydrophobicContact CD2-SD 4.29Å; F134-M376 HydrophobicContact CE1-CE 3.59Å; F134-M376 HydrophobicContact CE2-CE 3.61Å; F134-M376 HydrophobicContact CE2-SD 4.13Å; F134-M376 HydrophobicContact CG-CE 3.69Å; F134-M376 HydrophobicContact CZ-CE 3.59Å; F134-M376 HydrophobicContact CZ-SD 4.49Å; L138-M376 HydrophobicContact CD1-CB 4.24Å; L224-M376 HydrophobicContact CD1-SD 4.36Å; I320-M376 HydrophobicContact CD1-CG 4.37Å; L372-M376 HydrophobicContact CB-CE 4.27Å; L372-M376 WeakPolarHBondContact O-CE 3.48Å; L372-M376 WeakPolarHBondContact O-CG 3.37Å; L372-M376 PolarHBondContact O-N 3.1Å; A373-M376 PolarHBondContact O-N 3.19Å; M376-A380 WeakPolarHBondContact O-CB 3.28Å; M376-A380 PolarHBondContact O-N 3.46Å
377	L	96.8	Very high	95.7	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-71.4	-47.4	171.7	-61.1	-178.1	0	0	0	112.2	H137 L138 A373 P374 T375 M379 A380 G381 V382 I384 P385 M388	H137-L377 HydrophobicContact CB-CD1 4.5Å; H137-L377 HydrophobicContact CB-CD2 3.63Å; L138-L377 HydrophobicContact CD2-CD2 3.93Å; L138-L377 HydrophobicContact CG-CD2 3.87Å; A373-L377 WeakPolarHBondContact O-CG 3.44Å; A373-L377 PolarHBondContact O-N 2.95Å; P374-L377 PolarHBondContact O-N 3.45Å; T375-L377 PolarHBondContact O-N 2.83Å; L377-M379 VanDerWaalsContact C-N 3.33Å; L377-M379 PolarHBondContact O-N 3.28Å; L377-A380 PolarHBondContact O-N 3.46Å; L377-A380 VanDerWaalsContact O-N 3.09Å; L377-G381 PolarHBondContact O-N 2.77Å; L377-G381 VanDerWaalsContact O-N 3.14Å; L377-V382 CarbonylContact C-O 3.52Å; L377-V382 HydrophobicContact CB-CB 4.34Å; L377-V382 HydrophobicContact CD2-CB 4.28Å; L377-V382 HydrophobicContact CD2-CG1 4.15Å; L377-V382 PolarHBondContact O-N 2.91Å; L377-I384 HydrophobicContact CB-CG1 4.19Å; L377-P385 HydrophobicContact CD1-CG 4.48Å; L377-M388 HydrophobicContact CD1-CE 3.89Å; L377-M388 HydrophobicContact CD1-SD 4.06Å
378	E	95	Very high	95.7	Very high	57 Å²	57	27.3 Å²	27.3	27%	0.266	17%	0.169	S	C	.	.	H	α-helix	trans	-63.6	-38.4	176.8	-158.2	179.6	-158.6	0	0	111.4	P374 T375 A380 G381 I384 S392 L394 K395	P374-E378 PolarHBondContact O-N 2.84Å; T375-E378 PolarHBondContact O-N 2.96Å; E378-A380 PolarHBondContact O-N 2.91Å; E378-G381 PolarHBondContact O-N 2.76Å; E378-G381 VanDerWaalsContact O-N 3.11Å; E378-I384 HydrophobicContact CB-CD1 4.38Å; E378-S392 WeakPolarHBondContact OE2-CB 3.26Å; E378-S392 PolarHBondContact OE2-OG 2.74Å; E378-L394 HydrophobicContact CB-CD2 4.19Å; E378-L394 HydrophobicContact CG-CD2 3.88Å; E378-L394 WeakPolarHBondContact OE2-CB 3.46Å; E378-K395 VanDerWaalsContact OE1-CE 3.24Å; E378-K395 WeakPolarHBondContact OE1-CE 3.47Å; E378-K395 IonicContact OE1-NZ 3.99Å
379	M	93.9	Very high	95.6	Very high	9 Å²	9	27.3 Å²	27.3	4%	0.044	17%	0.169	C	C	.	.	H	α-helix	trans	-59.2	-30.9	173.3	-77.2	177.8	169.2	0	0	113.5	P51 I53 Y318 I320 V352 T375 L377 L394 L397	P51-M379 VanDerWaalsContact CG-O 3.25Å; P51-M379 WeakPolarHBondContact CG-O 3.45Å; I53-M379 HydrophobicContact CD1-CB 3.88Å; Y318-M379 HydrophobicContact CD1-CE 3.62Å; Y318-M379 HydrophobicContact CD1-SD 4.12Å; Y318-M379 HydrophobicContact CD2-CB 3.9Å; Y318-M379 HydrophobicContact CD2-CE 4.19Å; Y318-M379 HydrophobicContact CD2-CG 3.75Å; Y318-M379 HydrophobicContact CD2-SD 3.59Å; Y318-M379 VanDerWaalsContact CD2-SD 3.59Å; Y318-M379 HydrophobicContact CE1-CE 3.9Å; Y318-M379 HydrophobicContact CE2-CB 3.75Å; Y318-M379 HydrophobicContact CE2-CE 4.4Å; Y318-M379 HydrophobicContact CE2-CG 3.57Å; Y318-M379 HydrophobicContact CE2-SD 4.02Å; Y318-M379 HydrophobicContact CG-CE 3.78Å; Y318-M379 HydrophobicContact CG-CG 4.31Å; Y318-M379 HydrophobicContact CG-SD 3.63Å; I320-M379 HydrophobicContact CD1-CE 4.41Å; I320-M379 HydrophobicContact CD1-SD 4.27Å; V352-M379 HydrophobicContact CG1-CE 4.34Å; T375-M379 HydrophobicContact CG2-CE 3.74Å; T375-M379 HydrophobicContact CG2-CG 4.32Å; T375-M379 HydrophobicContact CG2-SD 4.03Å; T375-M379 WeakPolarHBondContact O-CB 3.33Å; T375-M379 VanDerWaalsContact O-CG 3.26Å; T375-M379 WeakPolarHBondContact O-CG 3Å; T375-M379 PolarHBondContact O-N 3.03Å; L377-M379 VanDerWaalsContact C-N 3.33Å; L377-M379 PolarHBondContact O-N 3.28Å; M379-L394 HydrophobicContact CE-CD1 4.23Å; M379-L394 HydrophobicContact CG-CD1 4.02Å; M379-L394 HydrophobicContact CG-CD2 4.49Å; M379-L397 HydrophobicContact CE-CD1 3.8Å
380	A	93.8	Very high	95.5	Very high	2 Å²	2	27.1 Å²	27.1	2%	0.017	17%	0.168	C	C	.	.	H	α-helix	trans	-89.3	-8.4	178.3	0	0	0	0	0	114	R50 I53 L138 Y143 M376 L377 E378 V382	R50-A380 VanDerWaalsContact CD-O 3.28Å; R50-A380 WeakPolarHBondContact CD-O 3.24Å; R50-A380 PolarHBondContact NE-O 2.75Å; I53-A380 HydrophobicContact CD1-CB 4.4Å; L138-A380 HydrophobicContact CD2-CB 3.25Å; Y143-A380 HydrophobicContact CE2-CB 3.57Å; Y143-A380 WeakPolarHBondContact OH-CA 3.03Å; Y143-A380 WeakPolarHBondContact OH-CB 3.12Å; M376-A380 WeakPolarHBondContact O-CB 3.28Å; M376-A380 PolarHBondContact O-N 3.46Å; L377-A380 PolarHBondContact O-N 3.46Å; L377-A380 VanDerWaalsContact O-N 3.09Å; E378-A380 PolarHBondContact O-N 2.91Å; A380-V382 HydrophobicContact CB-CG2 3.93Å
381	G	92.5	Very high	95.2	Very high	62 Å²	62	28.9 Å²	28.9	64%	0.639	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.8	41.3	-169.9	0	0	0	0	0	112.5	L377 E378	L377-G381 PolarHBondContact O-N 2.77Å; L377-G381 VanDerWaalsContact O-N 3.14Å; E378-G381 PolarHBondContact O-N 2.76Å; E378-G381 VanDerWaalsContact O-N 3.11Å
382	V	93.4	Very high	95.1	Very high	29 Å²	29	29.2 Å²	29.2	18%	0.176	18%	0.179	C	C	.	.			trans	-113.7	136.3	175.5	-179.6	0	0	0	0	108.9	L138 S141 L377 A380 I384	L138-V382 HydrophobicContact CD2-CG2 4.23Å; S141-V382 VanDerWaalsContact CB-CG2 3.47Å; L377-V382 CarbonylContact C-O 3.52Å; L377-V382 HydrophobicContact CB-CB 4.34Å; L377-V382 HydrophobicContact CD2-CB 4.28Å; L377-V382 HydrophobicContact CD2-CG1 4.15Å; L377-V382 PolarHBondContact O-N 2.91Å; A380-V382 HydrophobicContact CB-CG2 3.93Å; V382-I384 PolarHBondContact O-N 2.99Å
383	D	93.6	Very high	94.9	Very high	153 Å²	153	29.2 Å²	29.2	82%	0.818	18%	0.178	S	C	*	.	P	Polyproline II helix	trans	-60.9	135	178.5	-64.8	-57	0	0	0	111.8	P385	D383-P385 WeakPolarHBondContact O-CD 3.48Å
384	I	95.4	Very high	94.6	Very high	62 Å²	62	30.9 Å²	30.9	32%	0.318	19%	0.187	S	C	.	.	P	Polyproline II helix	trans	-80.1	122.4	179.3	-61.4	165.8	0	0	0	108.7	P374 L377 E378 V382 A386 M388	P374-I384 HydrophobicContact CB-CD1 3.92Å; P374-I384 HydrophobicContact CB-CG1 4.13Å; P374-I384 HydrophobicContact CB-CG2 3.69Å; L377-I384 HydrophobicContact CB-CG1 4.19Å; E378-I384 HydrophobicContact CB-CD1 4.38Å; V382-I384 PolarHBondContact O-N 2.99Å; I384-A386 PolarHBondContact O-N 3.14Å; I384-M388 HydrophobicContact CG2-CB 4.36Å; I384-M388 HydrophobicContact CG2-SD 4.24Å
385	P	95.3	Very high	94.1	Very high	27 Å²	27	37.4 Å²	37.4	18%	0.175	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-58.4	130.3	174.1	-24.5	34.4	0	0	0	111.6	L377 D383 E387 M388	L377-P385 HydrophobicContact CD1-CG 4.48Å; D383-P385 WeakPolarHBondContact O-CD 3.48Å; P385-E387 HydrophobicContact CB-CG 3.91Å; P385-E387 PolarHBondContact O-N 2.62Å; P385-M388 HydrophobicContact CB-CG 4.41Å; P385-M388 HydrophobicContact CG-CE 4.18Å; P385-M388 PolarHBondContact O-N 2.97Å
386	A	92.4	Very high	93.7	Very high	77 Å²	77	37.7 Å²	37.7	64%	0.636	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-15.1	-177.5	0	0	0	0	0	114.3	I384 G838	I384-A386 PolarHBondContact O-N 3.14Å; A386-G838 VanDerWaalsContact O-CA 3.31Å; A386-G838 WeakPolarHBondContact O-CA 3.07Å
387	E	92.3	Very high	93.2	Very high	80 Å²	80	37.9 Å²	37.9	37%	0.374	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-7.3	174.3	55.5	146.8	-133.8	0	0	114.9	K106 P385	K106-E387 WeakPolarHBondContact CE-O 3.24Å; K106-E387 VanDerWaalsContact CE-OE1 3.32Å; K106-E387 WeakPolarHBondContact CE-OE1 3.35Å; K106-E387 IonicContact NZ-OE1 2.72Å; K106-E387 PolarHBondContact NZ-OE1 2.9Å; K106-E387 IonicContact NZ-OE2 3.57Å; K106-E387 PolarHBondContact NZ-OE2 3.39Å; P385-E387 HydrophobicContact CB-CG 3.91Å; P385-E387 PolarHBondContact O-N 2.62Å
388	M	96.4	Very high	92	Very high	0 Å²	0	40 Å²	40	0%	0	24%	0.236	C	C	.	.			trans	-74	135	169.1	-65.6	-168.4	172.1	0	0	109.9	A373 P374 L377 I384 P385 G838 H839	A373-M388 HydrophobicContact CB-CE 4.12Å; A373-M388 HydrophobicContact CB-SD 4.02Å; P374-M388 HydrophobicContact CB-SD 4.25Å; L377-M388 HydrophobicContact CD1-CE 3.89Å; L377-M388 HydrophobicContact CD1-SD 4.06Å; I384-M388 HydrophobicContact CG2-CB 4.36Å; I384-M388 HydrophobicContact CG2-SD 4.24Å; P385-M388 HydrophobicContact CB-CG 4.41Å; P385-M388 HydrophobicContact CG-CE 4.18Å; P385-M388 PolarHBondContact O-N 2.97Å; M388-G838 CarbonylContact O-C 3.6Å; M388-G838 WeakPolarHBondContact O-CA 3.21Å; M388-H839 PolarHBondContact O-N 3.33Å
389	D	96.4	Very high	90.4	Very high	2 Å²	2	40 Å²	40	1%	0.011	24%	0.242	C	C	.	.			trans	-86.8	-24.7	-178	-61.2	-36.7	0	0	0	112.7	G105 K106 Y107 N110 G838 C842 N843	G105-D389 PolarHBondContact O-N 2.81Å; K106-D389 VanDerWaalsContact CA-OD2 3.25Å; K106-D389 WeakPolarHBondContact CA-OD2 3.39Å; Y107-D389 HydrophobicContact CD2-CB 3.57Å; Y107-D389 HydrophobicContact CE2-CB 4Å; Y107-D389 PolarHBondContact N-OD2 2.96Å; N110-D389 PolarHBondContact ND2-OD1 2.85Å; N110-D389 PolarHBondContact ND2-OD2 3.35Å; D389-G838 WeakPolarHBondContact OD1-CA 3.29Å; D389-G838 PolarHBondContact OD1-N 3.28Å; D389-C842 HydrophobicContact CB-CB 4.2Å; D389-N843 PolarHBondContact O-ND2 2.9Å
390	G	94.6	Very high	88.5	Confident	2 Å²	2	45.7 Å²	45.7	2%	0.021	27%	0.272	C	S	.	.	S	Bend	trans	-70.5	166.8	177.5	0	0	0	0	0	114.6	G105 D371 H839	G105-G390 PolarHBondContact O-N 3Å; G105-G390 VanDerWaalsContact O-N 3.14Å; D371-G390 WeakPolarHBondContact OD1-CA 3.27Å; G390-H839 WeakPolarHBondContact O-CB 3.08Å
391	K	92.9	Very high	86.2	Confident	37 Å²	37	51.8 Å²	51.8	16%	0.161	30%	0.295	C	S	.	.			trans	-123.5	127.3	176	-170.1	176	-173.6	174.6	0	108.6	D371 I393 T414 W415 N843 E845	D371-K391 WeakPolarHBondContact CB-O 3.45Å; D371-K391 VanDerWaalsContact CG-O 3.28Å; D371-K391 PolarHBondContact OD1-N 3.23Å; K391-I393 PolarHBondContact O-N 3.22Å; K391-T414 PolarHBondContact NZ-O 3.28Å; K391-T414 VanDerWaalsContact NZ-O 3.13Å; K391-W415 HydrophobicContact CB-CH2 3.88Å; K391-W415 HydrophobicContact CB-CZ2 4.41Å; K391-W415 HydrophobicContact CB-CZ3 4.39Å; K391-W415 HydrophobicContact CD-CE3 4.03Å; K391-W415 HydrophobicContact CD-CH2 3.98Å; K391-W415 HydrophobicContact CD-CZ3 3.63Å; K391-W415 HydrophobicContact CG-CH2 3.74Å; K391-W415 HydrophobicContact CG-CZ3 3.74Å; K391-W415 WeakPolarHBondContact O-CH2 3.38Å; K391-N843 HydrophobicContact CD-CB 4.36Å; K391-E845 IonicContact NZ-OE1 3.85Å; K391-E845 PolarHBondContact NZ-OE1 2.9Å
392	S	94.7	Very high	83.6	Confident	9 Å²	9	55 Å²	55	6%	0.063	30%	0.304	C	S	.	.			trans	-60.5	132.6	-178.5	169.4	0	0	0	0	112.4	T375 E378 L394 W415	T375-S392 WeakPolarHBondContact CA-OG 3.43Å; T375-S392 WeakPolarHBondContact OG1-CA 3.23Å; E378-S392 WeakPolarHBondContact OE2-CB 3.26Å; E378-S392 PolarHBondContact OE2-OG 2.74Å; S392-L394 VanDerWaalsContact C-N 3.33Å; S392-L394 PolarHBondContact OG-N 2.95Å; S392-W415 WeakPolarHBondContact O-CH2 3.45Å
393	I	94.4	Very high	81.2	Confident	2 Å²	2	58.7 Å²	58.7	1%	0.01	32%	0.321	C	S	.	.	S	Bend	trans	-85.5	0.1	180	66	160	0	0	0	113.6	F85 F350 V352 V367 D371 T375 K391 K395 L396 L397 W415	F85-I393 HydrophobicContact CE2-CD1 4.09Å; F85-I393 HydrophobicContact CZ-CD1 3.97Å; F350-I393 HydrophobicContact CE1-CD1 3.59Å; F350-I393 HydrophobicContact CZ-CD1 3.79Å; V352-I393 HydrophobicContact CG2-CD1 4.27Å; V367-I393 HydrophobicContact CB-CG2 4.47Å; V367-I393 HydrophobicContact CG1-CD1 4.39Å; V367-I393 HydrophobicContact CG1-CG2 3.99Å; V367-I393 HydrophobicContact CG2-CG2 3.82Å; D371-I393 HydrophobicContact CB-CG2 4.12Å; T375-I393 HydrophobicContact CG2-CG1 3.61Å; T375-I393 PolarHBondContact OG1-N 3.37Å; K391-I393 PolarHBondContact O-N 3.22Å; I393-K395 PolarHBondContact O-N 2.02Å; I393-K395 VanDerWaalsContact O-N 3.12Å; I393-L396 HydrophobicContact CB-CD1 4.18Å; I393-L396 HydrophobicContact CG2-CD1 4.19Å; I393-L396 WeakPolarHBondContact O-CA 3.35Å; I393-L396 VanDerWaalsContact O-CB 3.29Å; I393-L396 WeakPolarHBondContact O-CB 3.28Å; I393-L396 PolarHBondContact O-N 3.3Å; I393-L397 HydrophobicContact CD1-CD1 4.29Å; I393-L397 HydrophobicContact CD1-CG 4.48Å; I393-L397 HydrophobicContact CG1-CD1 4.34Å; I393-L397 PolarHBondContact O-N 2.69Å; I393-L397 VanDerWaalsContact O-N 3.14Å; I393-W415 HydrophobicContact CG2-CH2 4.03Å; I393-W415 HydrophobicContact CG2-CZ2 3.95Å
394	L	91.1	Very high	78.7	Confident	36 Å²	36	57.9 Å²	57.9	19%	0.188	32%	0.317	C	S	.	.	H	α-helix	trans	-58.6	-31.6	-175.4	-169.1	61.9	0	0	0	112.8	Y318 E378 M379 S392 L396 L397 A398	Y318-L394 HydrophobicContact CE1-CD1 4.48Å; E378-L394 HydrophobicContact CB-CD2 4.19Å; E378-L394 HydrophobicContact CG-CD2 3.88Å; E378-L394 WeakPolarHBondContact OE2-CB 3.46Å; M379-L394 HydrophobicContact CE-CD1 4.23Å; M379-L394 HydrophobicContact CG-CD1 4.02Å; M379-L394 HydrophobicContact CG-CD2 4.49Å; S392-L394 VanDerWaalsContact C-N 3.33Å; S392-L394 PolarHBondContact OG-N 2.95Å; L394-L396 VanDerWaalsContact C-N 3.32Å; L394-L396 PolarHBondContact O-N 2.84Å; L394-L397 HydrophobicContact CD1-CD1 4.29Å; L394-L397 PolarHBondContact O-N 2.63Å; L394-A398 PolarHBondContact O-N 3.24Å; L394-A398 VanDerWaalsContact O-N 3.14Å
395	K	87.4	Confident	76.6	Confident	136 Å²	136	66 Å²	66	59%	0.591	34%	0.343	S	S	*	.	H	α-helix	trans	-71.1	-24.7	175.3	-66.4	167.4	-173.5	165.4	0	113.3	E378 I393 K413	E378-K395 VanDerWaalsContact OE1-CE 3.24Å; E378-K395 WeakPolarHBondContact OE1-CE 3.47Å; E378-K395 IonicContact OE1-NZ 3.99Å; I393-K395 PolarHBondContact O-N 2.02Å; I393-K395 VanDerWaalsContact O-N 3.12Å; K395-K413 WeakPolarHBondContact O-CD 3.28Å; K395-K413 PolarHBondContact O-NZ 3Å
396	L	89.1	Confident	74.6	Confident	9 Å²	9	73.9 Å²	73.9	5%	0.047	38%	0.375	C	S	.	.	H	α-helix	trans	-77.7	-37.8	172.2	-58.2	178.9	0	0	0	111.6	F85 N363 H365 I393 L394 K413 W415	F85-L396 HydrophobicContact CE1-CB 4.23Å; F85-L396 HydrophobicContact CE1-CD1 4.12Å; F85-L396 HydrophobicContact CZ-CB 4.42Å; N363-L396 PolarHBondContact ND2-O 3.02Å; H365-L396 HydrophobicContact CB-CD1 3.7Å; H365-L396 HydrophobicContact CB-CD2 4.13Å; I393-L396 HydrophobicContact CB-CD1 4.18Å; I393-L396 HydrophobicContact CG2-CD1 4.19Å; I393-L396 WeakPolarHBondContact O-CA 3.35Å; I393-L396 VanDerWaalsContact O-CB 3.29Å; I393-L396 WeakPolarHBondContact O-CB 3.28Å; I393-L396 PolarHBondContact O-N 3.3Å; L394-L396 VanDerWaalsContact C-N 3.32Å; L394-L396 PolarHBondContact O-N 2.84Å; L396-K413 HydrophobicContact CD2-CB 4.43Å; L396-K413 HydrophobicContact CD2-CD 4.41Å; L396-W415 HydrophobicContact CD1-CD2 3.8Å; L396-W415 HydrophobicContact CD1-CE3 4.06Å; L396-W415 HydrophobicContact CD1-CG 4.41Å; L396-W415 HydrophobicContact CD1-CH2 4.01Å; L396-W415 HydrophobicContact CD1-CZ2 3.75Å; L396-W415 HydrophobicContact CD1-CZ3 4.15Å; L396-W415 HydrophobicContact CD2-CD2 3.96Å; L396-W415 HydrophobicContact CD2-CE3 3.83Å; L396-W415 HydrophobicContact CD2-CG 4.27Å; L396-W415 HydrophobicContact CD2-CZ3 4.39Å; L396-W415 HydrophobicContact CG-CD2 4.19Å; L396-W415 HydrophobicContact CG-CE3 4Å; L396-W415 HydrophobicContact CG-CH2 4.37Å; L396-W415 HydrophobicContact CG-CZ3 4.08Å
397	L	86.1	Confident	72.3	Confident	5 Å²	5	77.7 Å²	77.7	3%	0.026	38%	0.38	C	S	.	.	H	α-helix	trans	-68.2	-34.9	178.7	-68.7	170.8	0	0	0	113.5	F85 V352 V357 M379 I393 L394 S399	F85-L397 HydrophobicContact CE2-CD2 3.6Å; F85-L397 HydrophobicContact CE2-CG 4.49Å; F85-L397 HydrophobicContact CZ-CD2 3.71Å; F85-L397 HydrophobicContact CZ-CG 4.21Å; V352-L397 HydrophobicContact CB-CD1 4.48Å; V352-L397 HydrophobicContact CB-CD2 3.9Å; V352-L397 HydrophobicContact CG1-CD1 3.91Å; V352-L397 HydrophobicContact CG1-CD2 4.09Å; V352-L397 HydrophobicContact CG2-CD2 4.28Å; V357-L397 HydrophobicContact CG1-CD2 4.01Å; V357-L397 HydrophobicContact CG2-CB 4.46Å; V357-L397 HydrophobicContact CG2-CD1 4.43Å; V357-L397 HydrophobicContact CG2-CD2 4.36Å; M379-L397 HydrophobicContact CE-CD1 3.8Å; I393-L397 HydrophobicContact CD1-CD1 4.29Å; I393-L397 HydrophobicContact CD1-CG 4.48Å; I393-L397 HydrophobicContact CG1-CD1 4.34Å; I393-L397 PolarHBondContact O-N 2.69Å; I393-L397 VanDerWaalsContact O-N 3.14Å; L394-L397 HydrophobicContact CD1-CD1 4.29Å; L394-L397 PolarHBondContact O-N 2.63Å; L397-S399 PolarHBondContact O-N 3.25Å
398	A	72	Confident	69.9	Low	45 Å²	45	81.5 Å²	81.5	37%	0.372	40%	0.402	S	S	.	.	B	Isolated β-bridge	trans	-66	116.8	-177.1	0	0	0	0	0	111.9	L394 D400 K413	L394-A398 PolarHBondContact O-N 3.24Å; L394-A398 VanDerWaalsContact O-N 3.14Å; A398-D400 PolarHBondContact O-N 3.25Å; A398-K413 PolarHBondContact O-NZ 2.79Å
399	S	61	Low	67.2	Low	57 Å²	57	88.9 Å²	88.9	40%	0.399	44%	0.442	S	S	.	.			trans	-56.4	132.1	175.6	-60.3	0	0	0	0	112.1	E358 L397 R401	E358-S399 WeakPolarHBondContact OE2-CB 3.36Å; E358-S399 PolarHBondContact OE2-OG 3.29Å; L397-S399 PolarHBondContact O-N 3.25Å; S399-R401 PolarHBondContact O-N 3.47Å
400	D	53.8	Low	64.7	Low	127 Å²	127	100.6 Å²	100.6	68%	0.679	49%	0.486	S	S	*	.			trans	-71.1	99.9	176.9	-71.1	-22.5	0	0	0	109.5	A398 K413	A398-D400 PolarHBondContact O-N 3.25Å; D400-K413 VanDerWaalsContact CG-CE 3.48Å; D400-K413 WeakPolarHBondContact OD1-CE 3.37Å; D400-K413 IonicContact OD1-NZ 3.54Å; D400-K413 PolarHBondContact OD1-NZ 3.01Å; D400-K413 VanDerWaalsContact OD1-NZ 3.1Å; D400-K413 WeakPolarHBondContact OD2-CE 3.3Å; D400-K413 IonicContact OD2-NZ 2.65Å
401	R	44.8	Very low	62.5	Low	130 Å²	130	109.8 Å²	109.8	49%	0.491	53%	0.525	S	S	.	.			trans	-54.4	136.6	172.8	-65.6	-172.1	-175.3	-146.6	-1.7	109	S399 M403	S399-R401 PolarHBondContact O-N 3.47Å; R401-M403 PolarHBondContact O-N 2.91Å
402	P	39.2	Very low	60.8	Low	129 Å²	129	110.9 Å²	110.9	84%	0.838	55%	0.547	S	S	*	.			trans	-61.3	103.4	172.7	25.4	-33.1	0	0	0	109.4
403	M	43.2	Very low	59.4	Low	107 Å²	107	113.6 Å²	113.6	53%	0.527	56%	0.558	S	S	.	*			trans	-63.7	152.8	161.9	-65.9	-71.3	-163.4	0	0	108.3	R35 R401	R35-M403 PolarHBondContact NH1-SD 3.08Å; R401-M403 PolarHBondContact O-N 2.91Å
404	N	40.4	Very low	58.5	Low	137 Å²	137	118.2 Å²	118.2	73%	0.733	59%	0.586	S	S	*	*			trans	-52.9	144	-174.2	-67.2	-9.5	0	0	0	112.2	F406 Q407	N404-F406 PolarHBondContact O-N 3.22Å; N404-Q407 PolarHBondContact O-N 3.2Å; N404-Q407 VanDerWaalsContact O-N 3.13Å
405	R	51.6	Low	58.4	Low	231 Å²	231	118.4 Å²	118.4	87%	0.872	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-51.9	-7.7	-170.2	-156.9	176.8	-171.4	174.3	2.9	116.6
406	F	53	Low	58.5	Low	193 Å²	193	112.9 Å²	112.9	85%	0.846	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.7	-1.8	-175.2	-59.3	-77.1	0	0	0	114.6	N404	N404-F406 PolarHBondContact O-N 3.22Å
407	Q	44	Very low	58.6	Low	158 Å²	158	114.8 Å²	114.8	74%	0.738	57%	0.57	S	S	*	*			trans	-109.6	78.4	172.6	-71.8	-172	-13.2	0	0	111.5	N404 N409	N404-Q407 PolarHBondContact O-N 3.2Å; N404-Q407 VanDerWaalsContact O-N 3.13Å; Q407-N409 PolarHBondContact O-N 2.77Å
408	L	42.4	Very low	59	Low	160 Å²	160	115.2 Å²	115.2	84%	0.838	57%	0.574	S	S	*	*			trans	-71.5	-6.5	-176.5	-83.8	166.2	0	0	0	115.5	R410	L408-R410 PolarHBondContact O-N 2.92Å
409	N	38.4	Very low	60.2	Low	154 Å²	154	113.1 Å²	113.1	82%	0.824	56%	0.556	S	S	*	*			trans	-78.6	82.8	177.8	-82.6	-25.3	0	0	0	112.1	Q407 K411	Q407-N409 PolarHBondContact O-N 2.77Å; N409-K411 PolarHBondContact O-N 2.62Å
410	R	45	Very low	61.9	Low	249 Å²	249	110.4 Å²	110.4	94%	0.94	54%	0.537	S	S	*	.			trans	-60.4	84.4	159.2	-78.2	-178.2	168.3	177.3	-4.8	110.1	L408 G412	L408-R410 PolarHBondContact O-N 2.92Å; R410-G412 PolarHBondContact O-N 3.37Å
411	K	47.3	Very low	63.9	Low	195 Å²	195	104.4 Å²	104.4	85%	0.848	51%	0.505	S	S	*	.			trans	-67	109.6	159.4	-74.4	-171.7	175.7	-176.4	0	107.4	N409	N409-K411 PolarHBondContact O-N 2.62Å
412	G	57.5	Low	66.3	Low	60 Å²	60	98.5 Å²	98.5	62%	0.619	48%	0.483	S	S	*	.			trans	-56.7	149	175.3	0	0	0	0	0	111.5	R410 T414	R410-G412 PolarHBondContact O-N 3.37Å; G412-T414 PolarHBondContact O-N 2.88Å
413	K	66.4	Low	68.8	Low	66 Å²	66	93 Å²	93	29%	0.287	45%	0.445	S	S	.	.			trans	-62.9	117	-179.9	-62	-176.5	-179.5	-171.8	0	109	K395 L396 A398 D400 W415	K395-K413 WeakPolarHBondContact O-CD 3.28Å; K395-K413 PolarHBondContact O-NZ 3Å; L396-K413 HydrophobicContact CD2-CB 4.43Å; L396-K413 HydrophobicContact CD2-CD 4.41Å; A398-K413 PolarHBondContact O-NZ 2.79Å; D400-K413 VanDerWaalsContact CG-CE 3.48Å; D400-K413 WeakPolarHBondContact OD1-CE 3.37Å; D400-K413 IonicContact OD1-NZ 3.54Å; D400-K413 PolarHBondContact OD1-NZ 3.01Å; D400-K413 VanDerWaalsContact OD1-NZ 3.1Å; D400-K413 WeakPolarHBondContact OD2-CE 3.3Å; D400-K413 IonicContact OD2-NZ 2.65Å; K413-W415 PolarHBondContact O-N 3.18Å
414	T	74.4	Confident	70.5	Confident	99 Å²	99	88.2 Å²	88.2	61%	0.607	42%	0.424	S	S	*	.			trans	-70.3	100	-174.5	39.8	0	0	0	0	111.8	K391 G412	K391-T414 PolarHBondContact NZ-O 3.28Å; K391-T414 VanDerWaalsContact NZ-O 3.13Å; G412-T414 PolarHBondContact O-N 2.88Å
415	W	88.9	Confident	72	Confident	40 Å²	40	85 Å²	85	15%	0.152	40%	0.403	C	S	.	.			trans	-118.6	-177.6	-175.7	-156.9	-109.7	0	0	0	112.4	H365 I366 K391 S392 I393 L396 K413	H365-W415 HydrophobicContact CB-CG 4.37Å; I366-W415 PolarHBondContact O-NE1 2.96Å; K391-W415 HydrophobicContact CB-CH2 3.88Å; K391-W415 HydrophobicContact CB-CZ2 4.41Å; K391-W415 HydrophobicContact CB-CZ3 4.39Å; K391-W415 HydrophobicContact CD-CE3 4.03Å; K391-W415 HydrophobicContact CD-CH2 3.98Å; K391-W415 HydrophobicContact CD-CZ3 3.63Å; K391-W415 HydrophobicContact CG-CH2 3.74Å; K391-W415 HydrophobicContact CG-CZ3 3.74Å; K391-W415 WeakPolarHBondContact O-CH2 3.38Å; S392-W415 WeakPolarHBondContact O-CH2 3.45Å; I393-W415 HydrophobicContact CG2-CH2 4.03Å; I393-W415 HydrophobicContact CG2-CZ2 3.95Å; L396-W415 HydrophobicContact CD1-CD2 3.8Å; L396-W415 HydrophobicContact CD1-CE3 4.06Å; L396-W415 HydrophobicContact CD1-CG 4.41Å; L396-W415 HydrophobicContact CD1-CH2 4.01Å; L396-W415 HydrophobicContact CD1-CZ2 3.75Å; L396-W415 HydrophobicContact CD1-CZ3 4.15Å; L396-W415 HydrophobicContact CD2-CD2 3.96Å; L396-W415 HydrophobicContact CD2-CE3 3.83Å; L396-W415 HydrophobicContact CD2-CG 4.27Å; L396-W415 HydrophobicContact CD2-CZ3 4.39Å; L396-W415 HydrophobicContact CG-CD2 4.19Å; L396-W415 HydrophobicContact CG-CE3 4Å; L396-W415 HydrophobicContact CG-CH2 4.37Å; L396-W415 HydrophobicContact CG-CZ3 4.08Å; K413-W415 PolarHBondContact O-N 3.18Å
416	R	90.4	Very high	72.5	Confident	20 Å²	20	76.8 Å²	76.8	8%	0.075	38%	0.379	C	S	.	.			trans	-85.4	136.1	173.9	75.4	177.2	74.7	98.8	-13.6	110.9	I366 D371 N843	I366-R416 HydrophobicContact CB-CG 4.21Å; I366-R416 HydrophobicContact CG2-CG 4.49Å; I366-R416 PolarHBondContact O-NH1 2.91Å; I366-R416 VanDerWaalsContact O-NH1 3.14Å; D371-R416 IonicContact OD1-CZ 2.68Å; D371-R416 IonicContact OD1-NH1 2.66Å; D371-R416 IonicContact OD1-NH2 3.59Å; D371-R416 PolarHBondContact OD1-NH2 3.45Å; D371-R416 IonicContact OD2-CZ 3.52Å; D371-R416 IonicContact OD2-NH1 2.74Å; D371-R416 PolarHBondContact OD2-NH1 2.84Å; D371-R416 IonicContact OD2-NH2 3.82Å; D371-R416 PolarHBondContact OD2-NH2 3.29Å; R416-N843 VanDerWaalsContact CZ-OD1 3.25Å; R416-N843 PolarHBondContact NE-OD1 2.77Å; R416-N843 PolarHBondContact NH2-OD1 2.93Å
417	D	91.4	Very high	72.5	Confident	48 Å²	48	71.2 Å²	71.2	26%	0.257	36%	0.363	S	S	.	.	S	Bend	trans	-91.7	-19.3	170.7	-52.7	-41.4	0	0	0	112.4	I366 T782 I783 N784 K846	I366-D417 WeakPolarHBondContact CD1-O 3.38Å; D417-T782 CarbonylContact O-C 3.46Å; D417-T782 VanDerWaalsContact O-CA 3.3Å; D417-T782 WeakPolarHBondContact O-CA 3.42Å; D417-I783 PolarHBondContact O-N 3.47Å; D417-N784 HydrophobicContact CB-CB 4.13Å; D417-K846 WeakPolarHBondContact OD2-CE 3.14Å; D417-K846 IonicContact OD2-NZ 3.1Å; D417-K846 PolarHBondContact OD2-NZ 3.48Å
418	S	94.1	Very high	72.5	Confident	15 Å²	15	71 Å²	71	11%	0.105	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	154.2	-171.3	-53.1	0	0	0	0	111.4	R781 T782 Q829	S418-R781 CarbonylContact C-O 3.57Å; S418-R781 VanDerWaalsContact CA-O 3.22Å; S418-R781 WeakPolarHBondContact CA-O 3.45Å; S418-T782 WeakPolarHBondContact CB-OG1 3.32Å; S418-T782 PolarHBondContact OG-OG1 3.42Å; S418-Q829 PolarHBondContact OG-NE2 3.29Å
419	F	96.1	Very high	72.2	Confident	1 Å²	1	70.8 Å²	70.8	0%	0.004	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	168.3	175.1	67.2	-80.5	0	0	0	112.8	F89 I366 L368 V421 R781	F89-F419 HydrophobicContact CB-CE2 3.74Å; F89-F419 HydrophobicContact CB-CZ 3.57Å; F89-F419 AromaticContact CD1-CZ 3.91Å; F89-F419 HydrophobicContact CD1-CZ 3.91Å; F89-F419 AromaticContact CD2-CE1 3.76Å; F89-F419 HydrophobicContact CD2-CE1 3.76Å; F89-F419 HydrophobicContact CD2-CE2 4.42Å; F89-F419 AromaticContact CD2-CZ 3.46Å; F89-F419 HydrophobicContact CD2-CZ 3.46Å; F89-F419 VanDerWaalsContact CD2-CZ 3.46Å; F89-F419 HydrophobicContact CE1-CZ 4.46Å; F89-F419 HydrophobicContact CE2-CE1 4.09Å; F89-F419 HydrophobicContact CE2-CZ 4.08Å; F89-F419 HydrophobicContact CG-CE1 4.16Å; F89-F419 HydrophobicContact CG-CE2 4.08Å; F89-F419 AromaticContact CG-CZ 3.36Å; F89-F419 HydrophobicContact CG-CZ 3.36Å; I366-F419 HydrophobicContact CD1-CD1 4.13Å; I366-F419 HydrophobicContact CD1-CE1 4.37Å; I366-F419 HydrophobicContact CG2-CD1 3.54Å; I366-F419 HydrophobicContact CG2-CE1 3.65Å; I366-F419 HydrophobicContact CG2-CG 4.36Å; L368-F419 HydrophobicContact CD1-CB 3.74Å; L368-F419 HydrophobicContact CD1-CD2 4.23Å; L368-F419 HydrophobicContact CD1-CG 4.14Å; L368-F419 HydrophobicContact CD2-CB 4.19Å; L368-F419 HydrophobicContact CD2-CD1 4.12Å; L368-F419 HydrophobicContact CD2-CD2 3.37Å; L368-F419 HydrophobicContact CD2-CE1 4.3Å; L368-F419 HydrophobicContact CD2-CE2 3.6Å; L368-F419 HydrophobicContact CD2-CG 3.64Å; L368-F419 HydrophobicContact CD2-CZ 4.06Å; L368-F419 HydrophobicContact CG-CD2 4.45Å; L368-F419 HydrophobicContact CG-CG 4.5Å; F419-V421 HydrophobicContact CD2-CG2 4.19Å; F419-V421 HydrophobicContact CE2-CG2 3.59Å; F419-V421 HydrophobicContact CZ-CG2 4.42Å; F419-R781 HydrophobicContact CD1-CB 4.04Å; F419-R781 HydrophobicContact CD1-CG 4.35Å; F419-R781 HydrophobicContact CE1-CB 3.54Å; F419-R781 HydrophobicContact CE1-CG 3.45Å; F419-R781 VanDerWaalsContact CE1-CG 3.45Å; F419-R781 HydrophobicContact CE2-CB 4.11Å; F419-R781 HydrophobicContact CE2-CG 4.49Å; F419-R781 HydrophobicContact CZ-CB 3.57Å; F419-R781 HydrophobicContact CZ-CG 3.53Å; F419-R781 PolarHBondContact N-O 3.28Å; F419-R781 PolarHBondContact O-N 2.92Å
420	L	96.8	Very high	71.8	Confident	0 Å²	0	71.8 Å²	71.8	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	131.3	176.3	177.7	68.6	0	0	0	110.8	Y107 E422 W778 C779 L830 L833	Y107-L420 HydrophobicContact CD1-CB 4.43Å; Y107-L420 HydrophobicContact CD1-CD2 4.18Å; Y107-L420 HydrophobicContact CE1-CB 3.86Å; Y107-L420 HydrophobicContact CE1-CD2 4.43Å; Y107-L420 HydrophobicContact CE1-CG 4.48Å; L420-E422 HydrophobicContact CD1-CB 4.32Å; L420-E422 HydrophobicContact CD2-CB 4.2Å; L420-E422 HydrophobicContact CD2-CG 4.14Å; L420-E422 HydrophobicContact CG-CB 4.13Å; L420-E422 HydrophobicContact CG-CG 4.39Å; L420-W778 HydrophobicContact CD1-CB 4.1Å; L420-C779 WeakPolarHBondContact CA-O 3.49Å; L420-L830 HydrophobicContact CD1-CD1 3.68Å; L420-L833 HydrophobicContact CB-CB 4.1Å
421	V	97	Very high	71.3	Confident	0 Å²	0	65.4 Å²	65.4	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	131.8	154.9	178.1	0	0	0	0	107.5	T91 I346 F419 Y777 W778 C779	T91-V421 WeakPolarHBondContact O-CA 3.33Å; I346-V421 HydrophobicContact CD1-CG2 3.91Å; I346-V421 HydrophobicContact CG2-CG1 3.85Å; I346-V421 HydrophobicContact CG2-CG2 4.49Å; F419-V421 HydrophobicContact CD2-CG2 4.19Å; F419-V421 HydrophobicContact CE2-CG2 3.59Å; F419-V421 HydrophobicContact CZ-CG2 4.42Å; V421-Y777 HydrophobicContact CG1-CE2 4.39Å; V421-W778 CarbonylContact O-C 3.5Å; V421-C779 HydrophobicContact CB-CB 4.28Å; V421-C779 PolarHBondContact N-O 2.97Å; V421-C779 PolarHBondContact O-N 3.36Å
422	E	94.6	Very high	70.6	Confident	6 Å²	6	61.7 Å²	61.7	3%	0.028	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	149.6	179.1	65.5	173.1	152.2	0	0	113.8	T91 T92 V108 H109 L420	T91-E422 PolarHBondContact O-N 2.99Å; T92-E422 VanDerWaalsContact CB-O 3.23Å; T92-E422 WeakPolarHBondContact CB-O 3.5Å; T92-E422 PolarHBondContact OG1-O 3.46Å; V108-E422 WeakPolarHBondContact CA-OE1 3.42Å; V108-E422 HydrophobicContact CB-CG 3.97Å; V108-E422 WeakPolarHBondContact CB-OE1 3.33Å; V108-E422 HydrophobicContact CG2-CG 4.27Å; V108-E422 PolarHBondContact N-OE1 3.39Å; H109-E422 IonicContact CE1-OE1 3.51Å; H109-E422 IonicContact CG-OE1 2.72Å; H109-E422 PolarHBondContact N-OE1 3.01Å; H109-E422 IonicContact ND1-OE1 3Å; H109-E422 PolarHBondContact ND1-OE1 3.34Å; H109-E422 IonicContact ND1-OE2 3.36Å; L420-E422 HydrophobicContact CD1-CB 4.32Å; L420-E422 HydrophobicContact CD2-CB 4.2Å; L420-E422 HydrophobicContact CD2-CG 4.14Å; L420-E422 HydrophobicContact CG-CB 4.13Å; L420-E422 HydrophobicContact CG-CG 4.39Å
423	R	90.9	Very high	69.5	Low	14 Å²	14	63 Å²	63	5%	0.053	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	149.8	172.9	-176.1	174.2	158.4	-87.4	-10.2	111.7	M94 S339 S771 A772 N775 T776 Y777	M94-R423 HydrophobicContact CG-CG 4.35Å; S339-R423 VanDerWaalsContact CB-NE 3.31Å; S339-R423 VanDerWaalsContact O-CD 3.29Å; S339-R423 WeakPolarHBondContact O-CD 3.23Å; S339-R423 PolarHBondContact O-NH1 2.85Å; R423-S771 PolarHBondContact NH2-OG 3.02Å; R423-A772 PolarHBondContact NH2-O 3.43Å; R423-N775 PolarHBondContact NH1-ND2 2.78Å; R423-N775 PolarHBondContact NH1-O 3.39Å; R423-T776 CarbonylContact O-C 3.57Å; R423-T776 VanDerWaalsContact O-CA 3.23Å; R423-T776 WeakPolarHBondContact O-CA 3.47Å; R423-T776 WeakPolarHBondContact O-CG2 3.19Å; R423-Y777 HydrophobicContact CB-CD2 4.31Å; R423-Y777 HydrophobicContact CB-CE1 4.04Å; R423-Y777 HydrophobicContact CB-CE2 3.7Å; R423-Y777 PolarHBondContact N-O 3.31Å; R423-Y777 PolarHBondContact O-N 2.93Å
424	G	80.5	Confident	67.8	Low	7 Å²	7	68.4 Å²	68.4	7%	0.072	37%	0.372	C	S	.	.	S	Bend	trans	98.9	-155.1	173.9	0	0	0	0	0	111	Y114 T776	Y114-G424 WeakPolarHBondContact CB-O 3.31Å; Y114-G424 WeakPolarHBondContact CD1-O 3.36Å; G424-T776 WeakPolarHBondContact CA-OG1 3.39Å
425	K	70.8	Confident	65.6	Low	70 Å²	70	69.3 Å²	69.3	30%	0.304	37%	0.369	S	S	.	.			trans	-118.5	139.4	179.3	-57.8	-173	-166.9	-167.2	0	110.4	Y114 E118 T776	Y114-K425 HydrophobicContact CD2-CG 4.4Å; Y114-K425 HydrophobicContact CG-CG 4.25Å; E118-K425 WeakPolarHBondContact OE1-CE 3.44Å; E118-K425 IonicContact OE1-NZ 3.58Å; E118-K425 PolarHBondContact OE1-NZ 2.8Å; E118-K425 VanDerWaalsContact OE2-CE 3.24Å; E118-K425 WeakPolarHBondContact OE2-CE 3.36Å; E118-K425 IonicContact OE2-NZ 2.74Å; E118-K425 PolarHBondContact OE2-NZ 2.86Å; K425-T776 PolarHBondContact N-OG1 2.6Å; K425-T776 VanDerWaalsContact O-CG2 3.23Å; K425-T776 WeakPolarHBondContact O-CG2 3.06Å
426	P	62.1	Low	62.8	Low	57 Å²	57	72.7 Å²	72.7	37%	0.37	39%	0.389	S	S	.	.			trans	-54.4	132.4	161.4	26.1	-33.3	0	0	0	108.8	H428	P426-H428 PolarHBondContact O-N 2.94Å
427	P	53.8	Low	60	Low	76 Å²	76	76 Å²	76	49%	0.494	42%	0.42	S	S	.	.			trans	-59.8	132.2	178.1	24	-33.2	0	0	0	109.3	K429	P427-K429 PolarHBondContact O-N 2.95Å; P427-K429 VanDerWaalsContact O-N 3.09Å
428	H	43.1	Very low	57.2	Low	153 Å²	153	80.3 Å²	80.3	71%	0.708	44%	0.438	S	S	*	.			trans	-61.4	115.5	177.5	-77.6	-69.4	0	0	0	109.8	P426 R430	P426-H428 PolarHBondContact O-N 2.94Å; H428-R430 PolarHBondContact O-N 3.42Å
429	K	36.4	Very low	54.4	Low	157 Å²	157	87.7 Å²	87.7	68%	0.683	47%	0.471	S	S	*	.			trans	-52.4	127.1	150.2	-74.1	-155.4	176.6	-154.6	0	106.5	P427 E435	P427-K429 PolarHBondContact O-N 2.95Å; P427-K429 VanDerWaalsContact O-N 3.09Å; K429-E435 IonicContact NZ-OE1 3.07Å; K429-E435 PolarHBondContact NZ-OE1 3.03Å
430	R	31.3	Very low	51.4	Low	175 Å²	175	93.2 Å²	93.2	66%	0.66	50%	0.497	S	S	*	.			trans	-67.2	151.4	173.8	-65.2	-173.2	-178.3	-167.2	3.3	108.3	H428 D432	H428-R430 PolarHBondContact O-N 3.42Å; R430-D432 PolarHBondContact O-N 3.43Å
431	A	34.4	Very low	48.6	Very low	114 Å²	114	99.5 Å²	99.5	94%	0.942	53%	0.531	S	S	*	.	S	Bend	trans	-72.2	-22.7	179.3	0	0	0	0	0	112.1
432	D	32	Very low	45.9	Very low	118 Å²	118	105 Å²	105	63%	0.631	56%	0.555	S	S	*	*	S	Bend	trans	-69.3	129.6	166	-44	-57.4	0	0	0	108.8	R430 K434	R430-D432 PolarHBondContact O-N 3.43Å; D432-K434 CarbonylContact O-C 3.38Å; D432-K434 PolarHBondContact O-N 2.87Å
433	G	33.9	Very low	43.8	Very low	86 Å²	86	107.3 Å²	107.3	89%	0.887	57%	0.567	S	S	*	*	S	Bend	trans	-63.3	9.4	-177.5	0	0	0	0	0	116.5	E435	G433-E435 PolarHBondContact O-N 3.14Å
434	K	30.4	Very low	42.1	Very low	180 Å²	180	110.8 Å²	110.8	78%	0.783	59%	0.591	S	S	*	*			trans	-74.2	102	157.7	-69.7	-176.8	-179.4	179.7	0	107.2	D432 M436	D432-K434 CarbonylContact O-C 3.38Å; D432-K434 PolarHBondContact O-N 2.87Å; K434-M436 PolarHBondContact O-N 3.16Å
435	E	28.4	Very low	40.8	Very low	118 Å²	118	118.7 Å²	118.7	55%	0.551	62%	0.624	S	S	*	*			trans	-46	141.1	161.6	-56.4	-153.9	105.9	0	0	108.8	K429 G433 A437	K429-E435 IonicContact NZ-OE1 3.07Å; K429-E435 PolarHBondContact NZ-OE1 3.03Å; G433-E435 PolarHBondContact O-N 3.14Å; E435-A437 PolarHBondContact O-N 3.31Å
436	M	29.8	Very low	40.6	Very low	112 Å²	112	120.9 Å²	120.9	55%	0.552	63%	0.631	S	S	*	*			trans	-56.8	115.6	157.4	-80.1	-175.1	58	0	0	104.7	K434 Q438	K434-M436 PolarHBondContact O-N 3.16Å; M436-Q438 PolarHBondContact O-N 3.14Å
437	A	31.5	Very low	40.7	Very low	89 Å²	89	122 Å²	122	74%	0.736	63%	0.632	S	S	*	*			trans	-47	119.9	177.4	0	0	0	0	0	106.6	E435 E439	E435-A437 PolarHBondContact O-N 3.31Å; A437-E439 PolarHBondContact O-N 3.28Å; A437-E439 VanDerWaalsContact O-N 3.14Å
438	Q	32.8	Very low	41.5	Very low	138 Å²	138	122.7 Å²	122.7	65%	0.645	62%	0.624	S	S	*	*			trans	-56.3	126.7	169.4	-66.9	-179.5	-2.6	0	0	104.9	M436 E440	M436-Q438 PolarHBondContact O-N 3.14Å; Q438-E440 HydrophobicContact CB-CG 3.9Å; Q438-E440 PolarHBondContact O-N 2.96Å
439	E	35.1	Very low	43	Very low	170 Å²	170	116.7 Å²	116.7	79%	0.794	60%	0.598	S	S	*	*			trans	-71.5	72.7	154.5	-67.7	-174.3	135.6	0	0	105	A437 N441	A437-E439 PolarHBondContact O-N 3.28Å; A437-E439 VanDerWaalsContact O-N 3.14Å; E439-N441 PolarHBondContact O-N 3.48Å
440	E	32.9	Very low	44.9	Very low	118 Å²	118	113.7 Å²	113.7	55%	0.551	59%	0.585	S	S	*	*			trans	-45.7	131.3	176.6	-62.8	178.5	142.8	0	0	107.3	Q438 F442	Q438-E440 HydrophobicContact CB-CG 3.9Å; Q438-E440 PolarHBondContact O-N 2.96Å; E440-F442 VanDerWaalsContact C-N 3.34Å; E440-F442 HydrophobicContact CB-CE1 4.23Å; E440-F442 HydrophobicContact CB-CE2 4.4Å; E440-F442 HydrophobicContact CB-CZ 4.06Å; E440-F442 VanDerWaalsContact O-CA 3.25Å; E440-F442 WeakPolarHBondContact O-CA 3.24Å; E440-F442 VanDerWaalsContact O-CB 3.23Å; E440-F442 WeakPolarHBondContact O-CB 3.38Å; E440-F442 VanDerWaalsContact O-CD1 3.29Å; E440-F442 WeakPolarHBondContact O-CD1 3.12Å; E440-F442 WeakPolarHBondContact O-CD2 3.37Å; E440-F442 WeakPolarHBondContact O-CG 3.46Å; E440-F442 PolarHBondContact O-N 2.77Å
441	N	39.8	Very low	46.9	Very low	132 Å²	132	108.4 Å²	108.4	71%	0.706	57%	0.57	S	S	*	*			trans	-49.9	91.7	-161.5	-73.9	-46.9	0	0	0	113.6	E439 L443	E439-N441 PolarHBondContact O-N 3.48Å; N441-L443 PolarHBondContact O-N 2.94Å
442	F	39.1	Very low	48.9	Very low	114 Å²	114	105.5 Å²	105.5	50%	0.5	54%	0.538	S	S	.	.			trans	-94.8	104.6	-158.2	-92.2	-34.9	0	0	0	110.5	E440	E440-F442 VanDerWaalsContact C-N 3.34Å; E440-F442 HydrophobicContact CB-CE1 4.23Å; E440-F442 HydrophobicContact CB-CE2 4.4Å; E440-F442 HydrophobicContact CB-CZ 4.06Å; E440-F442 VanDerWaalsContact O-CA 3.25Å; E440-F442 WeakPolarHBondContact O-CA 3.24Å; E440-F442 VanDerWaalsContact O-CB 3.23Å; E440-F442 WeakPolarHBondContact O-CB 3.38Å; E440-F442 VanDerWaalsContact O-CD1 3.29Å; E440-F442 WeakPolarHBondContact O-CD1 3.12Å; E440-F442 WeakPolarHBondContact O-CD2 3.37Å; E440-F442 WeakPolarHBondContact O-CG 3.46Å; E440-F442 PolarHBondContact O-N 2.77Å
443	L	50.7	Low	51.1	Low	56 Å²	56	100.3 Å²	100.3	29%	0.293	51%	0.511	S	S	.	.			trans	-50.1	148.5	169.3	-65.5	173.1	0	0	0	111.3	N441 K445 Q447 R448 D451	N441-L443 PolarHBondContact O-N 2.94Å; L443-K445 PolarHBondContact O-N 3.4Å; L443-Q447 HydrophobicContact CB-CB 4.45Å; L443-R448 PolarHBondContact O-NH2 3.29Å; L443-R448 VanDerWaalsContact O-NH2 3.11Å; L443-D451 WeakPolarHBondContact CD1-OD2 3.13Å
444	P	55	Low	53.1	Low	86 Å²	86	102.2 Å²	102.2	56%	0.558	50%	0.497	S	S	*	.			trans	-47.8	139	177.7	-28.8	35.3	0	0	0	111.6	Y446 Q447 R448	P444-Y446 PolarHBondContact O-N 3.12Å; P444-Q447 WeakPolarHBondContact O-CA 3.45Å; P444-Q447 WeakPolarHBondContact O-CB 3.41Å; P444-Q447 PolarHBondContact O-N 3.07Å; P444-R448 PolarHBondContact O-N 2.98Å; P444-R448 VanDerWaalsContact O-N 3.14Å
445	K	52.9	Low	55.3	Low	173 Å²	173	98.6 Å²	98.6	75%	0.752	48%	0.481	S	S	*	.	H	α-helix	trans	-47.1	-42.1	-169	-174.5	178.5	179.1	-179.8	0	113.7	L443 V449	L443-K445 PolarHBondContact O-N 3.4Å; K445-V449 WeakPolarHBondContact O-CG2 3.32Å; K445-V449 PolarHBondContact O-N 3.13Å; K445-V449 VanDerWaalsContact O-N 3.08Å
446	Y	66.6	Low	57.3	Low	116 Å²	116	96.4 Å²	96.4	46%	0.455	48%	0.483	S	S	.	.	H	α-helix	trans	-59.6	-45.5	176.1	171.9	-114.2	0	0	0	113.5	P444 V449 K450 K478	P444-Y446 PolarHBondContact O-N 3.12Å; Y446-V449 PolarHBondContact O-N 3.25Å; Y446-K450 PolarHBondContact O-N 3.49Å; Y446-K478 HydrophobicContact CD2-CD 4.45Å; Y446-K478 HydrophobicContact CE2-CB 4.08Å; Y446-K478 HydrophobicContact CE2-CD 4.14Å; Y446-K478 HydrophobicContact CE2-CG 3.83Å
447	Q	65.1	Low	59	Low	82 Å²	82	97 Å²	97	38%	0.383	48%	0.484	S	S	.	.	H	α-helix	trans	-69.9	-39.9	-177.6	-157.5	161.1	10.3	0	0	110.8	L443 P444 V449 K450 D451	L443-Q447 HydrophobicContact CB-CB 4.45Å; P444-Q447 WeakPolarHBondContact O-CA 3.45Å; P444-Q447 WeakPolarHBondContact O-CB 3.41Å; P444-Q447 PolarHBondContact O-N 3.07Å; Q447-V449 VanDerWaalsContact C-N 3.32Å; Q447-V449 PolarHBondContact O-N 3.36Å; Q447-K450 WeakPolarHBondContact O-CB 3.39Å; Q447-K450 PolarHBondContact O-N 2.98Å; Q447-K450 VanDerWaalsContact O-N 3.15Å; Q447-D451 PolarHBondContact O-N 3Å
448	R	70.3	Confident	60.9	Low	90 Å²	90	95.2 Å²	95.2	34%	0.34	46%	0.459	S	S	.	.	H	α-helix	trans	-61.9	-36.6	172.2	-159.8	-171.2	-40.2	174.5	11.8	113.1	L443 P444 L452	L443-R448 PolarHBondContact O-NH2 3.29Å; L443-R448 VanDerWaalsContact O-NH2 3.11Å; P444-R448 PolarHBondContact O-N 2.98Å; P444-R448 VanDerWaalsContact O-N 3.14Å; R448-L452 WeakPolarHBondContact O-CB 3.25Å; R448-L452 WeakPolarHBondContact O-CD1 3.38Å; R448-L452 VanDerWaalsContact O-CG 3.25Å; R448-L452 WeakPolarHBondContact O-CG 3.36Å; R448-L452 PolarHBondContact O-N 3.49Å
449	V	75	Confident	62.6	Low	26 Å²	26	94 Å²	94	16%	0.158	45%	0.454	C	S	.	.	H	α-helix	trans	-67.9	-41.9	173.5	172.5	0	0	0	0	110.7	K445 Y446 Q447 D451 L452 C453 L479 L481	K445-V449 WeakPolarHBondContact O-CG2 3.32Å; K445-V449 PolarHBondContact O-N 3.13Å; K445-V449 VanDerWaalsContact O-N 3.08Å; Y446-V449 PolarHBondContact O-N 3.25Å; Q447-V449 VanDerWaalsContact C-N 3.32Å; Q447-V449 PolarHBondContact O-N 3.36Å; V449-D451 PolarHBondContact O-N 2.65Å; V449-L452 PolarHBondContact O-N 2.72Å; V449-C453 WeakPolarHBondContact O-CB 3.41Å; V449-C453 PolarHBondContact O-N 2.67Å; V449-C453 PolarHBondContact O-SG 3.4Å; V449-L479 HydrophobicContact CG1-CB 4.4Å; V449-L479 VanDerWaalsContact CG1-O 3.26Å; V449-L479 WeakPolarHBondContact CG1-O 3.45Å; V449-L481 HydrophobicContact CG1-CD1 4.41Å; V449-L481 HydrophobicContact CG2-CD1 4.45Å
450	K	75.5	Confident	64.1	Low	95 Å²	95	88.3 Å²	88.3	41%	0.413	43%	0.43	S	S	.	.	H	α-helix	trans	-58.3	-48.3	174	-174.8	172.3	-177.9	174.2	0	111.9	Y446 Q447 L452 C453 Q454 L479	Y446-K450 PolarHBondContact O-N 3.49Å; Q447-K450 WeakPolarHBondContact O-CB 3.39Å; Q447-K450 PolarHBondContact O-N 2.98Å; Q447-K450 VanDerWaalsContact O-N 3.15Å; K450-L452 VanDerWaalsContact C-N 3.34Å; K450-L452 PolarHBondContact O-N 3.07Å; K450-C453 PolarHBondContact O-N 3.25Å; K450-Q454 WeakPolarHBondContact O-CG 3.31Å; K450-Q454 PolarHBondContact O-N 2.86Å; K450-L479 HydrophobicContact CG-CD1 4.28Å
451	D	74.5	Confident	66	Low	63 Å²	63	85.4 Å²	85.4	34%	0.337	42%	0.423	S	S	.	.	H	α-helix	trans	-65.6	-35.1	-180	-60.1	-6.5	0	0	0	111.8	L443 Q447 V449 Q454	L443-D451 WeakPolarHBondContact CD1-OD2 3.13Å; Q447-D451 PolarHBondContact O-N 3Å; V449-D451 PolarHBondContact O-N 2.65Å; D451-Q454 PolarHBondContact O-N 3.26Å
452	L	75.9	Confident	67.5	Low	54 Å²	54	81.8 Å²	81.8	28%	0.283	41%	0.408	S	S	.	.	H	α-helix	trans	-66.4	-46	171.5	-75.6	166.9	0	0	0	111.5	R448 V449 K450 Q454 K455 Y458 L481	R448-L452 WeakPolarHBondContact O-CB 3.25Å; R448-L452 WeakPolarHBondContact O-CD1 3.38Å; R448-L452 VanDerWaalsContact O-CG 3.25Å; R448-L452 WeakPolarHBondContact O-CG 3.36Å; R448-L452 PolarHBondContact O-N 3.49Å; V449-L452 PolarHBondContact O-N 2.72Å; K450-L452 VanDerWaalsContact C-N 3.34Å; K450-L452 PolarHBondContact O-N 3.07Å; L452-Q454 PolarHBondContact O-N 2.9Å; L452-Q454 VanDerWaalsContact O-N 3.08Å; L452-K455 WeakPolarHBondContact O-CB 3.48Å; L452-K455 PolarHBondContact O-N 3.31Å; L452-Y458 HydrophobicContact CB-CD2 4.46Å; L452-Y458 HydrophobicContact CD2-CE2 3.99Å; L452-Y458 WeakPolarHBondContact O-CD2 3.5Å; L452-L481 HydrophobicContact CB-CD1 4.04Å; L452-L481 HydrophobicContact CD1-CD1 3.73Å
453	C	77	Confident	68.7	Low	9 Å²	9	84.3 Å²	84.3	6%	0.061	42%	0.421	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-4.4	177.9	-61.9	0	0	0	0	114.5	V449 K450 Q459 C471 L479	V449-C453 WeakPolarHBondContact O-CB 3.41Å; V449-C453 PolarHBondContact O-N 2.67Å; V449-C453 PolarHBondContact O-SG 3.4Å; K450-C453 PolarHBondContact O-N 3.25Å; C453-Q459 VanDerWaalsContact O-CG 3.22Å; C453-Q459 WeakPolarHBondContact O-CG 3.38Å; C453-Q459 PolarHBondContact O-NE2 3.21Å; C453-C471 WeakPolarHBondContact CA-SG 3.44Å; C453-C471 HydrophobicContact CB-CB 3.69Å; C453-C471 WeakPolarHBondContact CB-SG 3.33Å; C453-C471 WeakPolarHBondContact SG-CB 3.25Å; C453-C471 CovalentContact SG-SG 2.02Å; C453-C471 PolarHBondContact SG-SG 3.36Å; C453-L479 HydrophobicContact CB-CB 4.47Å; C453-L479 HydrophobicContact CB-CD1 3.94Å
454	Q	77.1	Confident	69.3	Low	125 Å²	125	87.6 Å²	87.6	58%	0.584	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-10.4	168.8	-74.3	178	-23.3	0	0	113.4	K450 D451 L452 Q459	K450-Q454 WeakPolarHBondContact O-CG 3.31Å; K450-Q454 PolarHBondContact O-N 2.86Å; D451-Q454 PolarHBondContact O-N 3.26Å; L452-Q454 PolarHBondContact O-N 2.9Å; L452-Q454 VanDerWaalsContact O-N 3.08Å; Q454-Q459 PolarHBondContact O-NE2 3.37Å
455	K	76.3	Confident	69.6	Low	105 Å²	105	90.1 Å²	90.1	46%	0.457	45%	0.451	S	S	.	.	S	Bend	trans	-84.3	135.3	172.7	-59.9	-173.8	175	-167.6	0	111	L452 E457 Y458	L452-K455 WeakPolarHBondContact O-CB 3.48Å; L452-K455 PolarHBondContact O-N 3.31Å; K455-E457 PolarHBondContact O-N 2.72Å; K455-E457 VanDerWaalsContact O-N 3.14Å; K455-Y458 HydrophobicContact CB-CD2 4.14Å; K455-Y458 HydrophobicContact CD-CE2 4.28Å; K455-Y458 PolarHBondContact O-N 2.76Å; K455-Y458 VanDerWaalsContact O-N 3.08Å
456	A	69.5	Low	70.1	Confident	71 Å²	71	85.1 Å²	85.1	59%	0.587	45%	0.449	S	S	*	.	H	α-helix	trans	-53	-36.8	179.7	0	0	0	0	0	113.5	Y458 Q459	A456-Y458 PolarHBondContact O-N 2.86Å; A456-Q459 PolarHBondContact O-N 2.91Å; A456-Q459 VanDerWaalsContact O-N 3.11Å
457	E	66.9	Low	70.2	Confident	124 Å²	124	81 Å²	81	58%	0.579	43%	0.434	S	S	*	.	H	α-helix	trans	-52	-24.2	177	-64.7	168.3	-135.3	0	0	115.2	K455	K455-E457 PolarHBondContact O-N 2.72Å; K455-E457 VanDerWaalsContact O-N 3.14Å
458	Y	71	Confident	70.6	Confident	52 Å²	52	84.3 Å²	84.3	20%	0.204	45%	0.447	C	S	.	.	H	α-helix	trans	-116.6	-2.9	-177.7	-53.7	-61.8	0	0	0	113.6	L452 K455 A456 W469 C471 L481	L452-Y458 HydrophobicContact CB-CD2 4.46Å; L452-Y458 HydrophobicContact CD2-CE2 3.99Å; L452-Y458 WeakPolarHBondContact O-CD2 3.5Å; K455-Y458 HydrophobicContact CB-CD2 4.14Å; K455-Y458 HydrophobicContact CD-CE2 4.28Å; K455-Y458 PolarHBondContact O-N 2.76Å; K455-Y458 VanDerWaalsContact O-N 3.08Å; A456-Y458 PolarHBondContact O-N 2.86Å; Y458-W469 HydrophobicContact CD1-CB 3.99Å; Y458-W469 HydrophobicContact CE1-CB 4.14Å; Y458-C471 WeakPolarHBondContact O-CB 3.39Å; Y458-C471 PolarHBondContact O-N 3.13Å; Y458-L481 HydrophobicContact CD1-CD2 4.08Å; Y458-L481 HydrophobicContact CG-CD2 4.15Å
459	Q	67.9	Low	71.1	Confident	114 Å²	114	85.4 Å²	85.4	53%	0.533	45%	0.451	S	S	.	.	H	α-helix	trans	-86.7	-30	179.9	-73.2	177.6	-11.2	0	0	112.9	C453 Q454 A456	C453-Q459 VanDerWaalsContact O-CG 3.22Å; C453-Q459 WeakPolarHBondContact O-CG 3.38Å; C453-Q459 PolarHBondContact O-NE2 3.21Å; Q454-Q459 PolarHBondContact O-NE2 3.37Å; A456-Q459 PolarHBondContact O-N 2.91Å; A456-Q459 VanDerWaalsContact O-N 3.11Å
460	T	67.6	Low	71.5	Confident	50 Å²	50	86 Å²	86	31%	0.307	45%	0.452	S	S	.	.	S	Bend	trans	-66.4	142.1	173.7	48.2	0	0	0	0	110.8	Q467	T460-Q467 PolarHBondContact O-NE2 2.7Å; T460-Q467 PolarHBondContact OG1-NE2 3Å; T460-Q467 VanDerWaalsContact OG1-NE2 3.1Å
461	S	72.9	Confident	72.1	Confident	57 Å²	57	82.3 Å²	82.3	40%	0.399	44%	0.438	S	S	.	.			trans	-60.5	151.1	164.7	-74	0	0	0	0	110.5	Q463 Q467 Q470	S461-Q463 WeakPolarHBondContact O-CB 3.5Å; S461-Q463 PolarHBondContact O-N 2.87Å; S461-Q467 PolarHBondContact O-OE1 2.72Å; S461-Q467 VanDerWaalsContact O-OE1 3.13Å; S461-Q470 VanDerWaalsContact CA-CD 3.5Å; S461-Q470 PolarHBondContact OG-NE2 2.89Å
462	C	70.6	Confident	72.4	Confident	56 Å²	56	82.2 Å²	82.2	38%	0.378	44%	0.44	S	S	.	.	S	Bend	trans	-57.8	72.2	-176.3	-69.2	0	0	0	0	114.4	Q470 C484	C462-Q470 WeakPolarHBondContact SG-CB 3.22Å; C462-Q470 PolarHBondContact SG-OE1 3.3Å; C462-Q470 VanDerWaalsContact SG-OE1 3.36Å; C462-C484 HydrophobicContact CB-CB 3.66Å; C462-C484 WeakPolarHBondContact CB-SG 3.22Å; C462-C484 WeakPolarHBondContact SG-CA 3.47Å; C462-C484 WeakPolarHBondContact SG-CB 3.19Å; C462-C484 CovalentContact SG-SG 2.04Å; C462-C484 PolarHBondContact SG-SG 2.73Å
463	Q	64.5	Low	72.7	Confident	166 Å²	166	85.2 Å²	85.2	78%	0.776	45%	0.452	S	S	*	.			trans	-131.2	-21.5	-168.7	-68.6	174.8	-23.3	0	0	112.1	S461	S461-Q463 WeakPolarHBondContact O-CB 3.5Å; S461-Q463 PolarHBondContact O-N 2.87Å
464	Q	63.6	Low	72.6	Confident	125 Å²	125	85.9 Å²	85.9	58%	0.584	46%	0.455	S	S	*	.	S	Bend	trans	-84.2	136	177.8	-67.1	-166.1	-6.8	0	0	111.7	G466 Q467	Q464-G466 PolarHBondContact O-N 2.77Å; Q464-Q467 HydrophobicContact CB-CB 4.3Å; Q464-Q467 WeakPolarHBondContact O-CB 3.02Å; Q464-Q467 PolarHBondContact O-N 2.9Å
465	P	60.1	Low	72.2	Confident	139 Å²	139	86.7 Å²	86.7	90%	0.903	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	125.1	179.9	25.6	-33.6	0	0	0	110.7
466	G	64.6	Low	72	Confident	69 Å²	69	86.6 Å²	86.6	71%	0.711	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.3	-6.9	-176.1	0	0	0	0	0	115.4	Q464 K468	Q464-G466 PolarHBondContact O-N 2.77Å; G466-K468 PolarHBondContact O-N 3.47Å
467	Q	69.1	Low	71.9	Confident	29 Å²	29	85.2 Å²	85.2	14%	0.136	47%	0.473	C	S	.	.			trans	-63.2	122.2	174.2	-168.7	-177.9	2.2	0	0	110.6	T460 S461 Q464 W469 C484	T460-Q467 PolarHBondContact O-NE2 2.7Å; T460-Q467 PolarHBondContact OG1-NE2 3Å; T460-Q467 VanDerWaalsContact OG1-NE2 3.1Å; S461-Q467 PolarHBondContact O-OE1 2.72Å; S461-Q467 VanDerWaalsContact O-OE1 3.13Å; Q464-Q467 HydrophobicContact CB-CB 4.3Å; Q464-Q467 WeakPolarHBondContact O-CB 3.02Å; Q464-Q467 PolarHBondContact O-N 2.9Å; Q467-W469 PolarHBondContact NE2-O 3.07Å; Q467-C484 VanDerWaalsContact O-CB 3.31Å; Q467-C484 WeakPolarHBondContact O-CB 3.32Å
468	K	73.6	Confident	72.2	Confident	152 Å²	152	84.3 Å²	84.3	66%	0.661	47%	0.467	S	S	*	.			trans	-99	-22.8	-174.4	-73.4	166.4	-173.4	168.7	0	113.8	G466 K483 C484	G466-K468 PolarHBondContact O-N 3.47Å; K468-K483 WeakPolarHBondContact O-CG 3.25Å; K468-C484 PolarHBondContact O-N 2.86Å
469	W	79.7	Confident	72.5	Confident	112 Å²	112	84.1 Å²	84.1	42%	0.424	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	150.1	-175.2	-53.5	91.5	0	0	0	111.4	Y458 Q467 L481 Y482 K483	Y458-W469 HydrophobicContact CD1-CB 3.99Å; Y458-W469 HydrophobicContact CE1-CB 4.14Å; Q467-W469 PolarHBondContact NE2-O 3.07Å; W469-L481 HydrophobicContact CB-CD2 3.92Å; W469-Y482 CarbonylContact C-O 3.56Å; W469-Y482 VanDerWaalsContact CA-O 3.23Å; W469-Y482 WeakPolarHBondContact CA-O 3.14Å; W469-K483 HydrophobicContact CD2-CB 4.38Å; W469-K483 HydrophobicContact CD2-CG 4.33Å; W469-K483 HydrophobicContact CE3-CB 3.75Å; W469-K483 HydrophobicContact CE3-CG 4.17Å; W469-K483 HydrophobicContact CH2-CB 4.1Å; W469-K483 HydrophobicContact CH2-CD 4.32Å; W469-K483 HydrophobicContact CH2-CG 4.16Å; W469-K483 HydrophobicContact CZ2-CG 4.32Å; W469-K483 HydrophobicContact CZ3-CB 3.6Å; W469-K483 HydrophobicContact CZ3-CG 4.09Å
470	Q	84.4	Confident	73	Confident	39 Å²	39	84.8 Å²	84.8	18%	0.182	47%	0.467	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	145.7	174.5	163.3	177	-0.7	0	0	108.9	S461 C462 V472 L481 Y482	S461-Q470 VanDerWaalsContact CA-CD 3.5Å; S461-Q470 PolarHBondContact OG-NE2 2.89Å; C462-Q470 WeakPolarHBondContact SG-CB 3.22Å; C462-Q470 PolarHBondContact SG-OE1 3.3Å; C462-Q470 VanDerWaalsContact SG-OE1 3.36Å; Q470-V472 HydrophobicContact CG-CG2 4.14Å; Q470-L481 WeakPolarHBondContact O-CA 3.41Å; Q470-Y482 PolarHBondContact N-O 3.18Å; Q470-Y482 PolarHBondContact O-N 3.09Å
471	C	86.9	Confident	73.7	Confident	18 Å²	18	84.8 Å²	84.8	12%	0.122	46%	0.464	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	137.4	167.4	-71.4	0	0	0	0	112.1	C453 Y458 R480 L481	C453-C471 WeakPolarHBondContact CA-SG 3.44Å; C453-C471 HydrophobicContact CB-CB 3.69Å; C453-C471 WeakPolarHBondContact CB-SG 3.33Å; C453-C471 WeakPolarHBondContact SG-CB 3.25Å; C453-C471 CovalentContact SG-SG 2.02Å; C453-C471 PolarHBondContact SG-SG 3.36Å; Y458-C471 WeakPolarHBondContact O-CB 3.39Å; Y458-C471 PolarHBondContact O-N 3.13Å; C471-R480 WeakPolarHBondContact CA-O 3.44Å; C471-L481 VanDerWaalsContact SG-CD2 3.55Å
472	V	81.9	Confident	73.9	Confident	61 Å²	61	87.6 Å²	87.6	37%	0.37	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	142.7	174.9	-174.1	0	0	0	0	107.9	Q470 L479 R480 Y482	Q470-V472 HydrophobicContact CG-CG2 4.14Å; V472-L479 CarbonylContact O-C 3.58Å; V472-R480 PolarHBondContact N-O 3.38Å; V472-R480 PolarHBondContact O-N 3.08Å; V472-Y482 HydrophobicContact CB-CD2 3.79Å; V472-Y482 HydrophobicContact CB-CE2 3.97Å; V472-Y482 HydrophobicContact CG2-CD2 3.78Å; V472-Y482 HydrophobicContact CG2-CE2 4.38Å; V472-Y482 HydrophobicContact CG2-CG 4.39Å
473	E	80.6	Confident	74.2	Confident	116 Å²	116	92.1 Å²	92.1	54%	0.542	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	126.7	175.5	-171.1	152.1	-149.3	0	0	111	G477 K478 L479	E473-G477 VanDerWaalsContact OE1-CA 3.25Å; E473-G477 WeakPolarHBondContact OE1-CA 3.15Å; E473-K478 PolarHBondContact OE1-N 2.67Å; E473-L479 HydrophobicContact CB-CD2 4.12Å
474	D	75.8	Confident	74.8	Confident	23 Å²	23	85 Å²	85	12%	0.123	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	155.3	170.1	-76.6	-20.3	0	0	0	110.6	T476 G477 K478 R480	D474-T476 PolarHBondContact O-N 2.64Å; D474-G477 PolarHBondContact O-N 3.4Å; D474-G477 VanDerWaalsContact O-N 3.07Å; D474-K478 HydrophobicContact CB-CB 4.38Å; D474-K478 WeakPolarHBondContact CB-O 3.37Å; D474-K478 PolarHBondContact N-O 3.21Å; D474-R480 VanDerWaalsContact OD1-CD 3.31Å; D474-R480 WeakPolarHBondContact OD1-CD 3.24Å; D474-R480 IonicContact OD1-CZ 3.64Å; D474-R480 IonicContact OD1-NE 2.69Å; D474-R480 PolarHBondContact OD1-NE 3.23Å; D474-R480 IonicContact OD1-NH2 3.46Å; D474-R480 IonicContact OD2-CZ 3.6Å; D474-R480 IonicContact OD2-NE 3.52Å; D474-R480 PolarHBondContact OD2-NE 3.07Å; D474-R480 IonicContact OD2-NH2 3.67Å; D474-R480 PolarHBondContact OD2-NH2 2.95Å
475	P	68.4	Low	74.9	Confident	143 Å²	143	89 Å²	89	93%	0.929	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	10.5	165.5	-24.1	34.6	0	0	0	116.3
476	T	72.3	Confident	74.5	Confident	103 Å²	103	85.4 Å²	85.4	63%	0.632	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120	15.1	177.6	62.9	0	0	0	0	113.1	D474	D474-T476 PolarHBondContact O-N 2.64Å
477	G	68.3	Low	73.7	Confident	42 Å²	42	91.5 Å²	91.5	43%	0.433	47%	0.465	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.4	41	179.6	0	0	0	0	0	112.8	E473 D474	E473-G477 VanDerWaalsContact OE1-CA 3.25Å; E473-G477 WeakPolarHBondContact OE1-CA 3.15Å; D474-G477 PolarHBondContact O-N 3.4Å; D474-G477 VanDerWaalsContact O-N 3.07Å
478	K	71.9	Confident	72.3	Confident	104 Å²	104	95.2 Å²	95.2	45%	0.452	50%	0.5	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	114.7	-176.1	-68.6	-166.9	177.4	-173.5	0	112.1	Y446 E473 D474	Y446-K478 HydrophobicContact CD2-CD 4.45Å; Y446-K478 HydrophobicContact CE2-CB 4.08Å; Y446-K478 HydrophobicContact CE2-CD 4.14Å; Y446-K478 HydrophobicContact CE2-CG 3.83Å; E473-K478 PolarHBondContact OE1-N 2.67Å; D474-K478 HydrophobicContact CB-CB 4.38Å; D474-K478 WeakPolarHBondContact CB-O 3.37Å; D474-K478 PolarHBondContact N-O 3.21Å
479	L	78.3	Confident	70.5	Confident	48 Å²	48	91.2 Å²	91.2	25%	0.251	50%	0.503	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63	137.3	174	-64.5	165.2	0	0	0	111.9	V449 K450 C453 V472 E473	V449-L479 HydrophobicContact CG1-CB 4.4Å; V449-L479 VanDerWaalsContact CG1-O 3.26Å; V449-L479 WeakPolarHBondContact CG1-O 3.45Å; K450-L479 HydrophobicContact CG-CD1 4.28Å; C453-L479 HydrophobicContact CB-CB 4.47Å; C453-L479 HydrophobicContact CB-CD1 3.94Å; V472-L479 CarbonylContact O-C 3.58Å; E473-L479 HydrophobicContact CB-CD2 4.12Å
480	R	78.3	Confident	68.4	Low	128 Å²	128	93 Å²	93	48%	0.483	52%	0.52	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	145.8	173.2	-66.7	-165.9	-171.5	-175.8	15.2	110.9	C471 V472 D474 Y482	C471-R480 WeakPolarHBondContact CA-O 3.44Å; V472-R480 PolarHBondContact N-O 3.38Å; V472-R480 PolarHBondContact O-N 3.08Å; D474-R480 VanDerWaalsContact OD1-CD 3.31Å; D474-R480 WeakPolarHBondContact OD1-CD 3.24Å; D474-R480 IonicContact OD1-CZ 3.64Å; D474-R480 IonicContact OD1-NE 2.69Å; D474-R480 PolarHBondContact OD1-NE 3.23Å; D474-R480 IonicContact OD1-NH2 3.46Å; D474-R480 IonicContact OD2-CZ 3.6Å; D474-R480 IonicContact OD2-NE 3.52Å; D474-R480 PolarHBondContact OD2-NE 3.07Å; D474-R480 IonicContact OD2-NH2 3.67Å; D474-R480 PolarHBondContact OD2-NH2 2.95Å; R480-Y482 HydrophobicContact CB-CD2 4.24Å; R480-Y482 HydrophobicContact CB-CE2 3.77Å
481	L	81.1	Confident	66	Low	50 Å²	50	100.8 Å²	100.8	26%	0.262	55%	0.553	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-89	120.6	171.1	-81.7	152.5	0	0	0	110.6	V449 L452 Y458 W469 Q470 C471	V449-L481 HydrophobicContact CG1-CD1 4.41Å; V449-L481 HydrophobicContact CG2-CD1 4.45Å; L452-L481 HydrophobicContact CB-CD1 4.04Å; L452-L481 HydrophobicContact CD1-CD1 3.73Å; Y458-L481 HydrophobicContact CD1-CD2 4.08Å; Y458-L481 HydrophobicContact CG-CD2 4.15Å; W469-L481 HydrophobicContact CB-CD2 3.92Å; Q470-L481 WeakPolarHBondContact O-CA 3.41Å; C471-L481 VanDerWaalsContact SG-CD2 3.55Å
482	Y	78.1	Confident	63.2	Low	117 Å²	117	104.3 Å²	104.3	46%	0.459	58%	0.584	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-105.4	146.1	172.2	-76.6	-95.6	0	0	0	110.2	W469 Q470 V472 R480	W469-Y482 CarbonylContact C-O 3.56Å; W469-Y482 VanDerWaalsContact CA-O 3.23Å; W469-Y482 WeakPolarHBondContact CA-O 3.14Å; Q470-Y482 PolarHBondContact N-O 3.18Å; Q470-Y482 PolarHBondContact O-N 3.09Å; V472-Y482 HydrophobicContact CB-CD2 3.79Å; V472-Y482 HydrophobicContact CB-CE2 3.97Å; V472-Y482 HydrophobicContact CG2-CD2 3.78Å; V472-Y482 HydrophobicContact CG2-CE2 4.38Å; V472-Y482 HydrophobicContact CG2-CG 4.39Å; R480-Y482 HydrophobicContact CB-CD2 4.24Å; R480-Y482 HydrophobicContact CB-CE2 3.77Å
483	K	77.3	Confident	61.2	Low	151 Å²	151	108.1 Å²	108.1	66%	0.657	61%	0.61	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-84.7	129	179.7	-164.7	-175.6	176	-173.7	0	110.5	K468 W469	K468-K483 WeakPolarHBondContact O-CG 3.25Å; W469-K483 HydrophobicContact CD2-CB 4.38Å; W469-K483 HydrophobicContact CD2-CG 4.33Å; W469-K483 HydrophobicContact CE3-CB 3.75Å; W469-K483 HydrophobicContact CE3-CG 4.17Å; W469-K483 HydrophobicContact CH2-CB 4.1Å; W469-K483 HydrophobicContact CH2-CD 4.32Å; W469-K483 HydrophobicContact CH2-CG 4.16Å; W469-K483 HydrophobicContact CZ2-CG 4.32Å; W469-K483 HydrophobicContact CZ3-CB 3.6Å; W469-K483 HydrophobicContact CZ3-CG 4.09Å
484	C	76.5	Confident	59	Low	15 Å²	15	112.3 Å²	112.3	10%	0.101	62%	0.621	C	S	.	*			trans	-66.7	133.2	174.8	-61.8	0	0	0	0	111.2	C462 Q467 K468 G486	C462-C484 HydrophobicContact CB-CB 3.66Å; C462-C484 WeakPolarHBondContact CB-SG 3.22Å; C462-C484 WeakPolarHBondContact SG-CA 3.47Å; C462-C484 WeakPolarHBondContact SG-CB 3.19Å; C462-C484 CovalentContact SG-SG 2.04Å; C462-C484 PolarHBondContact SG-SG 2.73Å; Q467-C484 VanDerWaalsContact O-CB 3.31Å; Q467-C484 WeakPolarHBondContact O-CB 3.32Å; K468-C484 PolarHBondContact O-N 2.86Å; C484-G486 PolarHBondContact O-N 3.27Å; C484-G486 VanDerWaalsContact O-N 3.14Å
485	K	66	Low	56.7	Low	209 Å²	209	120.1 Å²	120.1	91%	0.909	66%	0.658	S	S	*	*			trans	-82.4	79.8	173.9	-73.9	-174.9	176.4	179.9	0	110.4
486	G	51.1	Low	54.9	Low	65 Å²	65	120.5 Å²	120.5	67%	0.67	65%	0.648	S	S	*	*			trans	-68.1	146.1	170.2	0	0	0	0	0	112.3	C484 A488	C484-G486 PolarHBondContact O-N 3.27Å; C484-G486 VanDerWaalsContact O-N 3.14Å; G486-A488 VanDerWaalsContact C-N 3.32Å; G486-A488 PolarHBondContact O-N 3.48Å
487	M	47.7	Very low	52.8	Low	197 Å²	197	120 Å²	120	97%	0.97	65%	0.654	S	S	*	*			trans	-75.8	74.4	-176.4	-60.8	-173.7	81.3	0	0	112.8	G489	M487-G489 VanDerWaalsContact C-N 3.34Å; M487-G489 PolarHBondContact O-N 3.08Å
488	A	39.2	Very low	50.9	Low	106 Å²	106	126 Å²	126	88%	0.876	68%	0.676	S	S	*	*			trans	-90.7	65.8	171.4	0	0	0	0	0	110.7	G486	G486-A488 VanDerWaalsContact C-N 3.32Å; G486-A488 PolarHBondContact O-N 3.48Å
489	G	37.4	Very low	48.8	Very low	69 Å²	69	129.9 Å²	129.9	71%	0.711	70%	0.697	S	S	*	*			trans	-122.8	14.9	-170.4	0	0	0	0	0	115.8	M487	M487-G489 VanDerWaalsContact C-N 3.34Å; M487-G489 PolarHBondContact O-N 3.08Å
490	L	35	Very low	46.4	Very low	149 Å²	149	132.4 Å²	132.4	78%	0.78	73%	0.726	S	S	*	*	S	Bend	trans	-135.9	154.8	178.5	-68.4	171.9	0	0	0	110
491	F	32.9	Very low	43.9	Very low	202 Å²	202	131.7 Å²	131.7	89%	0.886	74%	0.74	S	S	*	*			trans	68.1	71.9	177.5	-53.2	-73.5	0	0	0	117.2
492	A	30.1	Very low	41.4	Very low	92 Å²	92	134.7 Å²	134.7	76%	0.76	77%	0.765	S	S	*	*			trans	-138.8	112.6	147.9	0	0	0	0	0	109
493	P	38.2	Very low	39.5	Very low	141 Å²	141	134.5 Å²	134.5	92%	0.916	78%	0.778	S	S	*	*			trans	-71.9	155.5	179	29.3	-33.7	0	0	0	111.9
494	R	34.2	Very low	37.1	Very low	205 Å²	205	132.3 Å²	132.3	77%	0.774	78%	0.782	S	S	*	*			trans	-115.7	140.7	-165.2	177.3	-171.7	-173.3	-175.7	3.1	110.7	Q496	R494-Q496 VanDerWaalsContact NE-OE1 3.11Å
495	M	28.4	Very low	34.6	Very low	186 Å²	186	137 Å²	137	92%	0.916	81%	0.81	S	S	*	*			trans	-144.9	134.5	150.6	-90.6	-121.5	-78	0	0	110.7
496	Q	30.4	Very low	32.6	Very low	151 Å²	151	135 Å²	135	71%	0.706	81%	0.806	S	S	*	*			trans	-137.1	129.3	170.3	-66.3	171.7	-85.8	0	0	107	R494	R494-Q496 VanDerWaalsContact NE-OE1 3.11Å
497	A	28	Very low	31.2	Very low	93 Å²	93	136.3 Å²	136.3	77%	0.769	81%	0.805	S	S	*	*			trans	-159.8	144.4	167	0	0	0	0	0	108.4
498	L	28.9	Very low	30.1	Very low	169 Å²	169	132.7 Å²	132.7	89%	0.885	79%	0.794	S	S	*	*			cis	-153.9	163.2	-18.4	-122.4	169.9	0	0	0	107.5
499	M	28.3	Very low	29.3	Very low	184 Å²	184	133.3 Å²	133.3	91%	0.906	79%	0.787	S	S	*	*			trans	-98.6	119.4	179	-77.5	-74.6	-162.2	0	0	111.5
500	A	27.3	Very low	28.9	Very low	102 Å²	102	134.4 Å²	134.4	84%	0.843	78%	0.784	S	S	*	*			trans	176.8	148.4	156.1	0	0	0	0	0	107.5
501	S	26.1	Very low	28.4	Very low	112 Å²	112	134.5 Å²	134.5	78%	0.783	79%	0.785	S	S	*	*			cis	-144.6	169.9	12	56.8	0	0	0	0	112.9
502	S	28.8	Very low	28.1	Very low	114 Å²	114	133.4 Å²	133.4	80%	0.797	78%	0.78	S	S	*	*			trans	-148.3	155.1	160.2	-57.1	0	0	0	0	106.2
503	P	37.2	Very low	28	Very low	112 Å²	112	135.6 Å²	135.6	73%	0.727	78%	0.779	S	S	*	*				-154.9	170.2	85.4	41.7	-23.5	0	0	0	116.9
504	S	26.6	Very low	27.5	Very low	106 Å²	106	136.1 Å²	136.1	74%	0.741	77%	0.774	S	S	*	*			trans	68.2	148.1	147	-64.8	0	0	0	0	120
505	T	25.6	Very low	27	Very low	113 Å²	113	130.9 Å²	130.9	69%	0.693	77%	0.768	S	S	*	*			cis	-164.5	148.6	-4.7	12.7	0	0	0	0	111.9
506	M	22.8	Very low	27	Very low	166 Å²	166	128.9 Å²	128.9	82%	0.818	76%	0.761	S	S	*	*			trans	65.8	149.7	149.6	-67.3	-54.5	100.4	0	0	119.8
507	S	22.6	Very low	26.9	Very low	93 Å²	93	127.3 Å²	127.3	65%	0.65	77%	0.765	S	S	*	*			cis	-168	175.8	-10.1	56.6	0	0	0	0	113.8
508	V	23.3	Very low	26.7	Very low	122 Å²	122	126.5 Å²	126.5	74%	0.739	77%	0.767	S	S	*	*			trans	88.3	113.4	145.4	159.4	0	0	0	0	122.6
509	T	23.2	Very low	26.7	Very low	118 Å²	118	126.8 Å²	126.8	72%	0.724	77%	0.769	S	S	*	*			trans	55.7	110.6	145.6	63.6	0	0	0	0	126.1
510	S	28.3	Very low	26.4	Very low	93 Å²	93	121.4 Å²	121.4	65%	0.65	76%	0.761	S	S	*	*				15.3	135.5	122.7	57.9	0	0	0	0	124.1
511	N	25.9	Very low	26.3	Very low	150 Å²	150	119.9 Å²	119.9	80%	0.802	76%	0.755	S	S	*	*				-170.4	153.6	114.5	-82.3	-17	0	0	0	108
512	F	25.3	Very low	26.3	Very low	179 Å²	179	122.1 Å²	122.1	79%	0.785	76%	0.757	S	S	*	*			cis	89.3	103.1	26	-100.7	-82.4	0	0	0	117.5
513	D	29.5	Very low	26.1	Very low	139 Å²	139	126.8 Å²	126.8	74%	0.743	76%	0.757	S	S	*	*			trans	60.7	117.2	141.8	-67.5	8.8	0	0	0	126.5
514	D	26.3	Very low	25.4	Very low	151 Å²	151	127.4 Å²	127.4	81%	0.807	76%	0.759	S	S	*	*				93.3	156.2	114.8	-157.4	37.5	0	0	0	124.6
515	C	23.9	Very low	25.3	Very low	95 Å²	95	126.8 Å²	126.8	64%	0.642	76%	0.755	S	S	*	*			trans	80.1	92.8	152.7	-99.3	0	0	0	0	125.2
516	N	28.6	Very low	25.3	Very low	144 Å²	144	126.7 Å²	126.7	77%	0.77	75%	0.754	S	S	*	*				68.2	142.8	105.9	-149.9	18.5	0	0	0	125
517	C	27.5	Very low	25.5	Very low	118 Å²	118	127.2 Å²	127.2	80%	0.797	76%	0.76	S	S	*	*			trans	61.7	155.8	165.3	-74.3	0	0	0	0	120.2
518	G	24.9	Very low	25.7	Very low	77 Å²	77	130.2 Å²	130.2	79%	0.794	76%	0.761	S	S	*	*			cis	-162	-147.1	8.7	0	0	0	0	0	116.3
519	D	27.9	Very low	25.9	Very low	174 Å²	174	132.5 Å²	132.5	93%	0.93	76%	0.761	S	S	*	*			trans	-90	163.7	-157.6	-169.1	20.4	0	0	0	116.5
520	G	23.3	Very low	26.1	Very low	72 Å²	72	134.7 Å²	134.7	74%	0.742	76%	0.76	S	S	*	*			trans	174.5	115.8	174.8	0	0	0	0	0	114.1
521	G	23.9	Very low	26.1	Very low	70 Å²	70	139.1 Å²	139.1	72%	0.722	76%	0.763	S	S	*	*			trans	-112.8	151.4	-165.3	0	0	0	0	0	118.4
522	L	26.2	Very low	26.2	Very low	158 Å²	158	137.7 Å²	137.7	83%	0.827	75%	0.754	S	S	*	*			trans	60.8	114.6	138.3	-156.1	88.1	0	0	0	119.8
523	R	25.6	Very low	26.4	Very low	212 Å²	212	135.1 Å²	135.1	80%	0.8	75%	0.748	S	S	*	*				171.4	151.2	113.2	-96.3	177.4	-178.1	-165.7	2.1	116.5
524	T	22.6	Very low	26.3	Very low	125 Å²	125	133.8 Å²	133.8	77%	0.767	74%	0.741	S	S	*	*			trans	62.2	160.5	148.9	48.2	0	0	0	0	121.4
525	S	24.4	Very low	26.4	Very low	94 Å²	94	133.7 Å²	133.7	66%	0.657	73%	0.734	S	S	*	*			cis	-173.8	159	-47.4	57.1	0	0	0	0	111.2
526	V	25.1	Very low	26.6	Very low	110 Å²	110	137.3 Å²	137.3	67%	0.667	74%	0.738	S	S	*	*			trans	67.4	110.3	163.7	-170.5	0	0	0	0	117.3	K528	V526-K528 HydrophobicContact CG1-CB 4.16Å; V526-K528 HydrophobicContact CG1-CD 4.46Å
527	L	27.9	Very low	26.6	Very low	178 Å²	178	139.1 Å²	139.1	93%	0.932	74%	0.739	S	S	*	*				-125.4	153	127.8	-99.9	172	0	0	0	109.3
528	K	26.2	Very low	26.6	Very low	156 Å²	156	139.1 Å²	139.1	68%	0.678	74%	0.735	S	S	*	*			trans	-156.3	144.6	-162.5	-136.4	173.9	-171.2	164.7	0	110	V526	V526-K528 HydrophobicContact CG1-CB 4.16Å; V526-K528 HydrophobicContact CG1-CD 4.46Å
529	K	27.1	Very low	26.6	Very low	170 Å²	170	144.5 Å²	144.5	74%	0.739	74%	0.737	S	S	*	*			trans	70.3	153.9	165.2	-63.1	168.9	-179	171.1	0	113.3
530	K	28	Very low	26.5	Very low	163 Å²	163	140.2 Å²	140.2	71%	0.709	72%	0.721	S	S	*	*			cis	-164.3	164.4	-4.3	-110.8	167.5	175	-171.5	0	107
531	R	28.3	Very low	26.6	Very low	187 Å²	187	141.6 Å²	141.6	71%	0.706	72%	0.719	S	S	*	*			cis	169.3	168.8	-19.3	-179	-161.7	176.1	-155.5	10	107.9
532	L	28.2	Very low	26.6	Very low	120 Å²	120	147.8 Å²	147.8	63%	0.628	73%	0.726	S	S	*	*			trans	84.1	150.9	160	-47	158.5	0	0	0	115.4
533	L	29.6	Very low	26.6	Very low	124 Å²	124	144.4 Å²	144.4	65%	0.649	72%	0.72	S	S	*	*			cis	-161.1	164.2	-29.2	-106.1	-173.9	0	0	0	106.1
534	N	26.6	Very low	26.7	Very low	112 Å²	112	141 Å²	141	60%	0.599	72%	0.723	S	S	*	*			cis	-153.2	138	49	-102.9	-43.9	0	0	0	109.6
535	K	28.6	Very low	27	Very low	149 Å²	149	141.4 Å²	141.4	65%	0.648	73%	0.725	S	S	*	*				59.7	143.7	103.2	-66.8	179	-164.3	150.9	0	115.4
536	K	29	Very low	27.1	Very low	170 Å²	170	148.6 Å²	148.6	74%	0.739	74%	0.738	S	S	*	*			cis	-172.8	169.5	-13.7	-113.4	173.4	-173.1	-178.1	0	105
537	K	26.9	Very low	27.5	Very low	182 Å²	182	153.5 Å²	153.5	79%	0.791	75%	0.75	S	S	*	*			cis	-152.5	144.3	29	-114.4	152.7	169.3	-171.7	0	106.2
538	V	27.3	Very low	27.5	Very low	118 Å²	118	156.3 Å²	156.3	72%	0.715	75%	0.749	S	S	*	*				70.4	135.3	62.5	156.2	0	0	0	0	111.5
539	K	26.5	Very low	27.5	Very low	190 Å²	190	161.1 Å²	161.1	83%	0.826	76%	0.763	S	S	*	*			cis	-147.7	-172.7	12	-138.4	-179.9	-170.5	-179.9	0	107.5
540	S	25.1	Very low	27.5	Very low	85 Å²	85	157.3 Å²	157.3	59%	0.594	76%	0.763	S	S	*	*			cis	-157.8	175.3	-4.8	-150.5	0	0	0	0	106
541	S	25.2	Very low	27.5	Very low	100 Å²	100	160.8 Å²	160.8	70%	0.699	77%	0.772	S	S	*	*			cis	-134.9	165	-0.6	-77	0	0	0	0	106.8
542	K	24.9	Very low	27.6	Very low	201 Å²	201	157.4 Å²	157.4	87%	0.874	78%	0.776	S	S	*	*				61	134.1	50.8	-78.4	-162.3	177	-166.5	0	116.1
543	A	25.3	Very low	27.7	Very low	86 Å²	86	158.3 Å²	158.3	71%	0.711	79%	0.787	S	S	*	*			cis	179.7	152.4	-25.9	0	0	0	0	0	108.8
544	V	27	Very low	27.7	Very low	142 Å²	142	156.3 Å²	156.3	86%	0.861	78%	0.783	S	S	*	*			trans	166.7	145.3	138.7	149.9	0	0	0	0	109.9
545	T	30.4	Very low	28.1	Very low	132 Å²	132	158.8 Å²	158.8	81%	0.81	79%	0.789	S	S	*	*			trans	-110.9	140.8	176	44.9	0	0	0	0	111.8
546	R	26.5	Very low	28.2	Very low	245 Å²	245	158.2 Å²	158.2	93%	0.925	79%	0.789	S	S	*	*			trans	-163.3	131.9	151.8	-114.4	166.1	-178.1	167.2	0.7	110.7
547	K	33.2	Very low	28.3	Very low	213 Å²	213	155.8 Å²	155.8	93%	0.926	78%	0.783	S	S	*	*			trans	-78.8	138.6	163.7	-68.6	-176.8	176.3	-175.8	0	108.7
548	R	27	Very low	28.8	Very low	237 Å²	237	155 Å²	155	89%	0.894	79%	0.788	S	S	*	*			trans	-157.4	140	160.6	-168.6	172.4	-85	-172.4	-8.7	108.9
549	W	26.8	Very low	29.6	Very low	258 Å²	258	152.2 Å²	152.2	98%	0.977	78%	0.782	S	S	*	*			trans	-91.9	138.8	173.8	-71.6	-16.4	0	0	0	111.1
550	A	28	Very low	30	Very low	90 Å²	90	148 Å²	148	74%	0.744	77%	0.769	S	S	*	*			trans	175.5	148.9	162.6	0	0	0	0	0	107.3
551	R	27.2	Very low	30.3	Very low	236 Å²	236	150.5 Å²	150.5	89%	0.891	78%	0.775	S	S	*	*			cis	-155.4	155.2	-15.4	-104.6	173.8	-174.3	176.4	-0.6	105.5
552	S	30	Very low	30.9	Very low	115 Å²	115	151.8 Å²	151.8	80%	0.804	77%	0.766	S	S	*	*			trans	-69.3	156.3	165.3	42.3	0	0	0	0	110.8
553	V	29.9	Very low	31.3	Very low	140 Å²	140	147 Å²	147	85%	0.848	76%	0.764	S	S	*	*			trans	-121.5	123.9	173.1	179.9	0	0	0	0	107.3
554	S	31.2	Very low	31.7	Very low	82 Å²	82	149 Å²	149	57%	0.573	77%	0.767	S	S	*	*			trans	-89.5	150.2	172.5	45.9	0	0	0	0	110.6
555	F	34.9	Very low	31.9	Very low	164 Å²	164	149.1 Å²	149.1	72%	0.719	76%	0.762	S	S	*	*			trans	-133.4	162.5	163.3	80.8	-86.7	0	0	0	108.8
556	E	30.5	Very low	32.2	Very low	137 Å²	137	150.4 Å²	150.4	64%	0.64	76%	0.763	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-120.8	141	-168.1	-173.4	172.5	-159.2	0	0	109.9
557	L	31.3	Very low	32.7	Very low	119 Å²	119	148 Å²	148	62%	0.623	76%	0.762	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-151	129.3	173.4	-155.4	79.5	0	0	0	108.4	G559	L557-G559 PolarHBondContact O-N 3.33Å
558	D	36.2	Very low	32.7	Very low	165 Å²	165	144.9 Å²	144.9	88%	0.882	75%	0.752	S	S	*	*	T	Hydrogen-bonded Turn	trans	47.9	32.5	-179.7	-61.7	-16.3	0	0	0	116
559	G	44.3	Very low	33	Very low	59 Å²	59	136.8 Å²	136.8	61%	0.608	74%	0.741	S	S	*	*	T	Hydrogen-bonded Turn	trans	89	-4.3	166.4	0	0	0	0	0	117	L557	L557-G559 PolarHBondContact O-N 3.33Å
560	D	35.1	Very low	33.2	Very low	102 Å²	102	134.8 Å²	134.8	55%	0.545	74%	0.735	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-101.6	140.1	176.6	-90.1	-32.7	0	0	0	112.7	Y562	D560-Y562 HydrophobicContact CB-CD2 4.41Å; D560-Y562 HydrophobicContact CB-CE2 3.58Å; D560-Y562 WeakPolarHBondContact O-CD2 3.36Å
561	L	31.1	Very low	33.3	Very low	138 Å²	138	139.8 Å²	139.8	72%	0.723	74%	0.735	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-98.6	108.7	-173.7	-117.8	159.3	0	0	0	111.5
562	Y	38.2	Very low	33.3	Very low	127 Å²	127	134.3 Å²	134.3	50%	0.498	73%	0.733	S	S	.	*			trans	-102.4	133.3	-178.3	-64.2	-87.6	0	0	0	112.7	D560 Y570	D560-Y562 HydrophobicContact CB-CD2 4.41Å; D560-Y562 HydrophobicContact CB-CE2 3.58Å; D560-Y562 WeakPolarHBondContact O-CD2 3.36Å; Y562-Y570 HydrophobicContact CD1-CE1 4.46Å; Y562-Y570 HydrophobicContact CE1-CE1 4.36Å
563	A	33	Very low	33.3	Very low	101 Å²	101	137 Å²	137	84%	0.835	74%	0.737	S	S	*	*			trans	-118.7	131.8	169.8	0	0	0	0	0	109.8
564	V	33.9	Very low	33.1	Very low	128 Å²	128	134 Å²	134	78%	0.776	74%	0.735	S	S	*	*			trans	-95.8	121.8	-178.1	-179.2	0	0	0	0	110.1
565	D	32.6	Very low	33	Very low	143 Å²	143	136.3 Å²	136.3	77%	0.765	75%	0.751	S	S	*	*			trans	-113	152.3	161.1	-156.5	-9.3	0	0	0	109.3
566	L	36.5	Very low	32.5	Very low	159 Å²	159	131.5 Å²	131.5	83%	0.832	75%	0.747	S	S	*	*	S	Bend	trans	-109.7	37.8	-161	-94.7	171	0	0	0	114.5
567	E	36.6	Very low	32.3	Very low	194 Å²	194	133.2 Å²	133.2	91%	0.907	76%	0.761	S	S	*	*	S	Bend	trans	-146.3	-20.1	170.8	-121.9	162.8	-144.3	0	0	117
568	E	32.2	Very low	32.1	Very low	149 Å²	149	132.7 Å²	132.7	70%	0.696	77%	0.774	S	S	*	*	S	Bend	trans	-123.2	152.4	170.6	-71	-153.6	148.2	0	0	113	R571	E568-R571 IonicContact OE2-CZ 2.63Å; E568-R571 IonicContact OE2-NH2 2.69Å; E568-R571 PolarHBondContact OE2-NH2 2.7Å
569	G	34.5	Very low	31.4	Very low	66 Å²	66	129.6 Å²	129.6	68%	0.68	77%	0.765	S	S	*	*			trans	-84.9	171.4	-178.5	0	0	0	0	0	115.2	R571	G569-R571 PolarHBondContact O-N 3.33Å
570	Y	30.8	Very low	30.4	Very low	216 Å²	216	137.5 Å²	137.5	85%	0.847	78%	0.777	S	S	*	*			trans	-37.4	129.2	-176.1	-77.4	-92.6	0	0	0	115.8	Y562	Y562-Y570 HydrophobicContact CD1-CE1 4.46Å; Y562-Y570 HydrophobicContact CE1-CE1 4.36Å
571	R	29.2	Very low	29.9	Very low	195 Å²	195	137.3 Å²	137.3	74%	0.736	78%	0.78	S	S	*	*			trans	-127.8	138.5	157.1	-62.6	-173.8	-167.1	177.9	10.5	108.8	E568 G569	E568-R571 IonicContact OE2-CZ 2.63Å; E568-R571 IonicContact OE2-NH2 2.69Å; E568-R571 PolarHBondContact OE2-NH2 2.7Å; G569-R571 PolarHBondContact O-N 3.33Å
572	S	26.7	Very low	29.5	Very low	121 Å²	121	140.8 Å²	140.8	85%	0.846	78%	0.783	S	S	*	*			trans	-81.5	138.5	166.5	174.7	0	0	0	0	109.4
573	L	30.5	Very low	28.9	Very low	172 Å²	172	139.1 Å²	139.1	90%	0.901	78%	0.783	S	S	*	*			trans	-110.2	104.3	173.3	-80.2	165.9	0	0	0	108.4
574	G	26.3	Very low	28.5	Very low	78 Å²	78	142.7 Å²	142.7	80%	0.804	78%	0.775	S	S	*	*			trans	-76	138.8	173.2	0	0	0	0	0	111.8
575	S	28	Very low	28	Very low	129 Å²	129	146.9 Å²	146.9	90%	0.902	78%	0.777	S	S	*	*			trans	-114.9	160.7	160.4	-167.8	0	0	0	0	108.8
576	G	25.8	Very low	27.6	Very low	63 Å²	63	151.3 Å²	151.3	65%	0.649	78%	0.783	S	S	*	*			trans	-152.6	-169.7	-168.9	0	0	0	0	0	116
577	N	25.3	Very low	27.1	Very low	173 Å²	173	147 Å²	147	93%	0.925	78%	0.776	S	S	*	*			trans	69.5	98.4	177.2	-62.5	-10.9	0	0	0	117.5
578	A	26.5	Very low	26.5	Very low	109 Å²	109	142.9 Å²	142.9	90%	0.901	78%	0.776	S	S	*	*			trans	-133.3	153.6	135	0	0	0	0	0	108
579	S	22.9	Very low	26.2	Very low	99 Å²	99	141 Å²	141	69%	0.692	79%	0.786	S	S	*	*			trans	-135.7	-176.5	-172	55.9	0	0	0	0	111.9
580	W	23.7	Very low	25.7	Very low	225 Å²	225	143.1 Å²	143.1	85%	0.852	80%	0.797	S	S	*	*			trans	78	142.5	179.2	-55	77.4	0	0	0	116.7
581	T	23	Very low	25.4	Very low	99 Å²	99	136.5 Å²	136.5	61%	0.607	79%	0.794	S	S	*	*			cis	-169.4	138.4	-29.7	29.4	0	0	0	0	110.5
582	R	23.9	Very low	25.2	Very low	210 Å²	210	134.4 Å²	134.4	79%	0.792	80%	0.797	S	S	*	*			trans	60	167	148.3	-65.4	178.5	61.8	-170.1	-5.4	117.9
583	D	25	Very low	25.1	Very low	93 Å²	93	136.3 Å²	136.3	50%	0.497	80%	0.798	S	S	.	*			cis	-124.3	-167.8	-2.7	-143.2	44.1	0	0	0	106.2
584	R	23.7	Very low	24.8	Very low	176 Å²	176	131.7 Å²	131.7	66%	0.664	79%	0.792	S	S	*	*			cis	-161.7	179.5	2.2	-175.4	168.6	-79	-149.9	-5.7	107.1
585	W	23.7	Very low	24.8	Very low	215 Å²	215	137.6 Å²	137.6	81%	0.814	80%	0.799	S	S	*	*			trans	65.6	102.9	166.1	-53.5	109.6	0	0	0	115.8
586	R	25.2	Very low	24.7	Very low	237 Å²	237	139.9 Å²	139.9	89%	0.894	80%	0.795	S	S	*	*			cis	69	123.8	25.1	-159.9	-162.3	-63.6	-144.3	1.7	113.4
587	G	24.8	Very low	24.6	Very low	67 Å²	67	145.3 Å²	145.3	69%	0.691	80%	0.801	S	S	*	*			cis	-161.9	160.1	-3	0	0	0	0	0	109.8
588	A	24.5	Very low	24.6	Very low	108 Å²	108	142.1 Å²	142.1	89%	0.893	79%	0.792	S	S	*	*				90.8	103.3	60.9	0	0	0	0	0	114.8
589	A	25.5	Very low	24.5	Very low	110 Å²	110	139 Å²	139	91%	0.909	77%	0.771	S	S	*	*			trans	-164.4	152.2	157.2	0	0	0	0	0	111.9
590	A	25.2	Very low	24.7	Very low	110 Å²	110	143.5 Å²	143.5	91%	0.909	78%	0.784	S	S	*	*			trans	-84.2	170.1	-160.5	0	0	0	0	0	118.6
591	G	24.4	Very low	24.7	Very low	77 Å²	77	136.6 Å²	136.6	79%	0.794	78%	0.782	S	S	*	*			trans	103.5	148.6	155.6	0	0	0	0	0	116.5
592	D	24.6	Very low	24.8	Very low	151 Å²	151	139 Å²	139	81%	0.807	80%	0.796	S	S	*	*			cis	-168.3	152.2	-28.6	-163.9	12.4	0	0	0	107.3
593	D	24.3	Very low	25	Very low	162 Å²	162	133.4 Å²	133.4	87%	0.866	80%	0.795	S	S	*	*			trans	46.9	142.4	174.8	-85.9	-24.4	0	0	0	121.3
594	G	24.4	Very low	25.1	Very low	75 Å²	75	133.8 Å²	133.8	77%	0.773	81%	0.811	S	S	*	*			trans	138.7	57.5	161	0	0	0	0	0	119.8
595	E	26.1	Very low	25.4	Very low	201 Å²	201	135.1 Å²	135.1	94%	0.939	82%	0.822	S	S	*	*			trans	28.8	102.7	162.5	-60.8	-162	154.6	0	0	120.3
596	E	26.5	Very low	25.8	Very low	177 Å²	177	130.9 Å²	130.9	83%	0.827	82%	0.822	S	S	*	*			trans	-119.9	133.9	154.8	-175.1	-170.1	-166.3	0	0	109.9
597	F	24.1	Very low	25.9	Very low	178 Å²	178	125.7 Å²	125.7	78%	0.781	82%	0.816	S	S	*	*			trans	-152.6	117.4	136.5	-153.5	-110.4	0	0	0	115	G599	F597-G599 WeakPolarHBondContact CE1-O 3.32Å; F597-G599 VanDerWaalsContact CZ-O 3.25Å; F597-G599 WeakPolarHBondContact CZ-O 3.38Å
598	S	24.7	Very low	26.4	Very low	105 Å²	105	128.7 Å²	128.7	73%	0.734	82%	0.822	S	S	*	*			trans	-121.4	140.6	155.8	-81.7	0	0	0	0	109.6
599	G	24.9	Very low	26.6	Very low	44 Å²	44	134.9 Å²	134.9	45%	0.454	82%	0.822	S	S	.	*			trans	114.8	133.3	155.1	0	0	0	0	0	118.3	F597	F597-G599 WeakPolarHBondContact CE1-O 3.32Å; F597-G599 VanDerWaalsContact CZ-O 3.25Å; F597-G599 WeakPolarHBondContact CZ-O 3.38Å
600	M	26.7	Very low	27.1	Very low	194 Å²	194	136.6 Å²	136.6	96%	0.956	82%	0.816	S	S	*	*			trans	10	124.6	148.1	-59.1	175.9	-71	0	0	119.7
601	G	23	Very low	27.3	Very low	79 Å²	79	140.8 Å²	140.8	81%	0.814	81%	0.814	S	S	*	*			trans	-141.2	126.9	162.2	0	0	0	0	0	112.7
602	V	26.5	Very low	28.2	Very low	149 Å²	149	145.5 Å²	145.5	90%	0.903	82%	0.82	S	S	*	*			trans	-134.6	141.4	169.7	-154.2	0	0	0	0	104.2
603	A	28.1	Very low	28.5	Very low	93 Å²	93	144.6 Å²	144.6	77%	0.769	82%	0.819	S	S	*	*			cis	-157.8	176.9	30.3	0	0	0	0	0	111.9
604	A	26.1	Very low	29.2	Very low	101 Å²	101	141.3 Å²	141.3	84%	0.835	81%	0.807	S	S	*	*			trans	-145.6	124.5	154.7	0	0	0	0	0	111.4
605	K	31.3	Very low	30.2	Very low	205 Å²	205	142.5 Å²	142.5	89%	0.891	80%	0.801	S	S	*	*			trans	-113.9	131.6	163.7	-80	-176.3	177.1	178.3	0	108.3
606	P	30.9	Very low	31.6	Very low	126 Å²	126	137.7 Å²	137.7	82%	0.818	80%	0.796	S	S	*	*			trans	-97.2	147	169.3	35.3	-30.9	0	0	0	112.2
607	T	28.1	Very low	33	Very low	127 Å²	127	131.1 Å²	131.1	78%	0.779	77%	0.772	S	S	*	*			trans	-131.5	110.5	167.6	46	0	0	0	0	111.1
608	T	34.2	Very low	34.8	Very low	131 Å²	131	128.3 Å²	128.3	80%	0.804	76%	0.764	S	S	*	*			trans	41.1	102.4	149.3	57.4	0	0	0	0	119.7
609	R	30	Very low	36.4	Very low	237 Å²	237	131.7 Å²	131.7	89%	0.894	77%	0.766	S	S	*	*				-168.6	170.9	106.9	-113.1	177.4	172.3	156.4	-0.9	112.5
610	D	35.8	Very low	38.2	Very low	146 Å²	146	133.1 Å²	133.1	78%	0.781	77%	0.765	S	S	*	*			trans	-71.2	133	-161.5	-51.9	-90.7	0	0	0	115.5
611	K	29.3	Very low	40.1	Very low	199 Å²	199	124.7 Å²	124.7	87%	0.865	73%	0.725	S	S	*	*			trans	-163.4	138.6	147.6	-106.6	160.4	-174.1	178.6	0	108.3
612	L	42.8	Very low	42.3	Very low	176 Å²	176	129.2 Å²	129.2	92%	0.921	72%	0.719	S	S	*	*			trans	-77.6	129.9	-173.8	-69.4	85.2	0	0	0	111.6
613	T	30.8	Very low	44.3	Very low	131 Å²	131	127.1 Å²	127.1	80%	0.804	69%	0.694	S	S	*	*			trans	-155	160	162.7	11.8	0	0	0	0	109.1
614	P	39.3	Very low	46.7	Very low	94 Å²	94	123.3 Å²	123.3	61%	0.61	66%	0.662	S	S	*	*	P	Polyproline II helix	trans	-83.5	155.2	-144.6	30.6	-37.5	0	0	0	116.5	M628	P614-M628 HydrophobicContact CB-CE 3.94Å; P614-M628 HydrophobicContact CB-SD 3.87Å; P614-M628 HydrophobicContact CG-SD 4.33Å
615	P	45.9	Very low	49.2	Very low	99 Å²	99	119.7 Å²	119.7	64%	0.643	63%	0.631	S	S	*	*	P	Polyproline II helix	trans	-64.5	140.3	-178.5	22.7	-32.2	0	0	0	114	M628	P615-M628 HydrophobicContact CG-CE 3.77Å; P615-M628 WeakPolarHBondContact O-CE 3.31Å
616	A	53.9	Low	51.5	Low	100 Å²	100	112.8 Å²	112.8	83%	0.826	60%	0.603	S	S	*	*	P	Polyproline II helix	trans	-67.3	150.1	-173.7	0	0	0	0	0	114.3
617	A	57.1	Low	53.6	Low	39 Å²	39	109.5 Å²	109.5	32%	0.322	58%	0.578	S	S	.	*	P	Polyproline II helix	trans	-53.2	138.3	-179	0	0	0	0	0	114.1	K619 I626 L627	A617-K619 PolarHBondContact O-N 2.86Å; A617-I626 WeakPolarHBondContact CB-O 3.3Å; A617-L627 HydrophobicContact CB-CD2 3.79Å
618	L	60.6	Low	55.6	Low	119 Å²	119	109.3 Å²	109.3	62%	0.623	57%	0.57	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-81.1	105	-173.9	-164.6	139.9	0	0	0	110.3	V620 I626	L618-V620 HydrophobicContact CD2-CG2 3.89Å; L618-V620 PolarHBondContact O-N 3.3Å; L618-I626 PolarHBondContact N-O 3.38Å; L618-I626 PolarHBondContact O-N 2.67Å
619	K	59.5	Low	57.5	Low	177 Å²	177	108.1 Å²	108.1	77%	0.77	56%	0.559	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-70.5	117.3	175.3	-69.1	-175.5	177.5	-179.4	0	109.7	A617	A617-K619 PolarHBondContact O-N 2.86Å
620	V	62.4	Low	59.4	Low	73 Å²	73	103.6 Å²	103.6	44%	0.442	55%	0.552	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-93.8	-42	179.6	179.4	0	0	0	0	110.5	L618 C624 I626	L618-V620 HydrophobicContact CD2-CG2 3.89Å; L618-V620 PolarHBondContact O-N 3.3Å; V620-C624 PolarHBondContact N-O 3.41Å; V620-I626 HydrophobicContact CG2-CD1 3.65Å; V620-I626 HydrophobicContact CG2-CG1 3.78Å
621	T	67.3	Low	61.1	Low	18 Å²	18	99.9 Å²	99.9	11%	0.11	54%	0.535	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	170	170.3	77.4	0	0	0	0	110.7	R623 C624 H648 I652	T621-R623 PolarHBondContact O-N 3.16Å; T621-R623 PolarHBondContact OG1-N 3.19Å; T621-C624 PolarHBondContact N-O 2.87Å; T621-C624 PolarHBondContact O-N 3.3Å; T621-C624 VanDerWaalsContact O-O 3.08Å; T621-C624 PolarHBondContact OG1-N 3.12Å; T621-H648 PolarHBondContact OG1-NE2 3.49Å; T621-I652 HydrophobicContact CG2-CD1 4.13Å; T621-I652 HydrophobicContact CG2-CG1 3.91Å
622	Y	67.4	Low	63.6	Low	174 Å²	174	94.7 Å²	94.7	68%	0.682	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-7.3	176.6	72.9	-79.7	0	0	0	114.4
623	R	68.5	Low	65.2	Low	104 Å²	104	93 Å²	93	39%	0.392	51%	0.505	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.8	-1.7	175.7	-77.2	-178.2	167.8	163.9	2.8	115.2	T621 C634 D635 L638 H648	T621-R623 PolarHBondContact O-N 3.16Å; T621-R623 PolarHBondContact OG1-N 3.19Å; R623-C634 CarbonylContact O-C 3.51Å; R623-C634 WeakPolarHBondContact O-CA 3.38Å; R623-D635 HydrophobicContact CB-CB 4.04Å; R623-D635 HydrophobicContact CG-CB 4.05Å; R623-D635 IonicContact CZ-OD2 2.88Å; R623-D635 IonicContact NE-OD2 3.82Å; R623-D635 PolarHBondContact NE-OD2 2.94Å; R623-D635 PolarHBondContact O-N 3.35Å; R623-L638 HydrophobicContact CB-CD1 3.86Å; R623-H648 VanDerWaalsContact CB-NE2 3.29Å; R623-H648 WeakPolarHBondContact CB-NE2 3.48Å
624	C	78.7	Confident	67.6	Low	14 Å²	14	88 Å²	88	10%	0.095	48%	0.475	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	133.9	-179.1	-68.6	0	0	0	0	112.6	V620 T621 V632 K633 C634 H648	V620-C624 PolarHBondContact N-O 3.41Å; T621-C624 PolarHBondContact N-O 2.87Å; T621-C624 PolarHBondContact O-N 3.3Å; T621-C624 VanDerWaalsContact O-O 3.08Å; T621-C624 PolarHBondContact OG1-N 3.12Å; C624-V632 HydrophobicContact CB-CG1 4.5Å; C624-K633 WeakPolarHBondContact CA-O 3.23Å; C624-C634 HydrophobicContact CB-CB 4.2Å; C624-C634 WeakPolarHBondContact CB-SG 3.38Å; C624-C634 WeakPolarHBondContact SG-CB 3.33Å; C624-C634 CovalentContact SG-SG 2.04Å; C624-C634 PolarHBondContact SG-SG 3.16Å; C624-H648 WeakPolarHBondContact CB-NE2 3.47Å; C624-H648 PolarHBondContact SG-NE2 3.25Å
625	S	79.8	Confident	69.4	Low	25 Å²	25	86.8 Å²	86.8	18%	0.175	46%	0.464	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	139.1	177.7	56.3	0	0	0	0	111.5	K633	S625-K633 PolarHBondContact N-O 3.39Å; S625-K633 PolarHBondContact O-N 2.88Å
626	I	78.6	Confident	70.5	Confident	60 Å²	60	84.1 Å²	84.1	31%	0.308	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	121.7	170	-59.7	174.1	0	0	0	108	A617 L618 V620 V632	A617-I626 WeakPolarHBondContact CB-O 3.3Å; L618-I626 PolarHBondContact N-O 3.38Å; L618-I626 PolarHBondContact O-N 2.67Å; V620-I626 HydrophobicContact CG2-CD1 3.65Å; V620-I626 HydrophobicContact CG2-CG1 3.78Å; I626-V632 HydrophobicContact CG1-CG2 4.38Å
627	L	76.1	Confident	71	Confident	57 Å²	57	81.1 Å²	81.1	30%	0.298	43%	0.433	S	S	.	.			trans	-80.2	164.5	173.5	-61	-179.6	0	0	0	110.4	A617 N629 D630 T631 K633	A617-L627 HydrophobicContact CB-CD2 3.79Å; L627-N629 VanDerWaalsContact CB-OD1 3.31Å; L627-N629 WeakPolarHBondContact CB-OD1 3.27Å; L627-N629 PolarHBondContact O-N 3.19Å; L627-D630 PolarHBondContact O-N 3.22Å; L627-T631 WeakPolarHBondContact CB-O 3.42Å; L627-T631 PolarHBondContact N-O 2.92Å; L627-K633 HydrophobicContact CD1-CB 4.13Å; L627-K633 HydrophobicContact CD1-CD 4.41Å; L627-K633 HydrophobicContact CG-CB 4.25Å
628	M	69.1	Low	71.4	Confident	122 Å²	122	79.4 Å²	79.4	60%	0.601	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-9	-174.2	-54.6	-170.3	77.7	0	0	115.4	P614 P615	P614-M628 HydrophobicContact CB-CE 3.94Å; P614-M628 HydrophobicContact CB-SD 3.87Å; P614-M628 HydrophobicContact CG-SD 4.33Å; P615-M628 HydrophobicContact CG-CE 3.77Å; P615-M628 WeakPolarHBondContact O-CE 3.31Å
629	N	74.1	Confident	71.6	Confident	106 Å²	106	80.8 Å²	80.8	57%	0.567	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.9	24.9	176.5	65.6	-14.9	0	0	0	111.8	L627 T631	L627-N629 VanDerWaalsContact CB-OD1 3.31Å; L627-N629 WeakPolarHBondContact CB-OD1 3.27Å; L627-N629 PolarHBondContact O-N 3.19Å; N629-T631 PolarHBondContact ND2-OG1 2.85Å; N629-T631 PolarHBondContact O-N 3.22Å; N629-T631 WeakPolarHBondContact OD1-CB 3.32Å; N629-T631 PolarHBondContact OD1-N 3.47Å; N629-T631 PolarHBondContact OD1-OG1 2.92Å
630	D	69.8	Low	72.2	Confident	143 Å²	143	81.5 Å²	81.5	77%	0.765	42%	0.42	S	S	*	.	S	Bend	trans	55.7	5.9	-173.4	-66.4	-38.8	0	0	0	116.4	L627	L627-D630 PolarHBondContact O-N 3.22Å
631	T	72.6	Confident	72.9	Confident	68 Å²	68	80.4 Å²	80.4	42%	0.417	42%	0.415	S	S	.	.			trans	-77.8	135.2	176.4	67.4	0	0	0	0	111.7	L627 N629	L627-T631 WeakPolarHBondContact CB-O 3.42Å; L627-T631 PolarHBondContact N-O 2.92Å; N629-T631 PolarHBondContact ND2-OG1 2.85Å; N629-T631 PolarHBondContact O-N 3.22Å; N629-T631 WeakPolarHBondContact OD1-CB 3.32Å; N629-T631 PolarHBondContact OD1-N 3.47Å; N629-T631 PolarHBondContact OD1-OG1 2.92Å
632	V	81.3	Confident	73.1	Confident	89 Å²	89	85.2 Å²	85.2	54%	0.539	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	114	-179.7	-171.3	0	0	0	0	109.8	C624 I626	C624-V632 HydrophobicContact CB-CG1 4.5Å; I626-V632 HydrophobicContact CG1-CG2 4.38Å
633	K	76.9	Confident	73.2	Confident	140 Å²	140	81.9 Å²	81.9	61%	0.609	43%	0.43	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.5	122.3	172.4	-171.1	171.7	-176.4	174.3	0	109.9	C624 S625 L627	C624-K633 WeakPolarHBondContact CA-O 3.23Å; S625-K633 PolarHBondContact N-O 3.39Å; S625-K633 PolarHBondContact O-N 2.88Å; L627-K633 HydrophobicContact CD1-CB 4.13Å; L627-K633 HydrophobicContact CD1-CD 4.41Å; L627-K633 HydrophobicContact CG-CB 4.25Å
634	C	81	Confident	73.4	Confident	28 Å²	28	78.4 Å²	78.4	19%	0.189	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	159.2	177.6	-65.9	0	0	0	0	112.5	R623 C624 G636 L638 Y639	R623-C634 CarbonylContact O-C 3.51Å; R623-C634 WeakPolarHBondContact O-CA 3.38Å; C624-C634 HydrophobicContact CB-CB 4.2Å; C624-C634 WeakPolarHBondContact CB-SG 3.38Å; C624-C634 WeakPolarHBondContact SG-CB 3.33Å; C624-C634 CovalentContact SG-SG 2.04Å; C624-C634 PolarHBondContact SG-SG 3.16Å; C634-G636 PolarHBondContact O-N 2.84Å; C634-L638 HydrophobicContact CB-CD1 4.05Å; C634-Y639 HydrophobicContact CB-CE2 3.81Å
635	D	76.9	Confident	73.5	Confident	68 Å²	68	83.3 Å²	83.3	36%	0.364	44%	0.44	S	S	.	.			trans	-54.3	127.5	171.3	174.6	6.1	0	0	0	111.7	R623 G637 L638	R623-D635 HydrophobicContact CB-CB 4.04Å; R623-D635 HydrophobicContact CG-CB 4.05Å; R623-D635 IonicContact CZ-OD2 2.88Å; R623-D635 IonicContact NE-OD2 3.82Å; R623-D635 PolarHBondContact NE-OD2 2.94Å; R623-D635 PolarHBondContact O-N 3.35Å; D635-G637 PolarHBondContact O-N 3.48Å; D635-G637 VanDerWaalsContact O-N 3.12Å; D635-G637 PolarHBondContact OD1-N 3.46Å; D635-L638 HydrophobicContact CB-CD1 4.31Å; D635-L638 WeakPolarHBondContact O-CB 3.11Å; D635-L638 PolarHBondContact O-N 3.09Å
636	G	68.3	Low	73.4	Confident	42 Å²	42	86.3 Å²	86.3	43%	0.433	45%	0.45	S	S	.	.	H	α-helix	trans	-60.2	-21.5	-179.2	0	0	0	0	0	114.3	C634 L638 Y639 K640	C634-G636 PolarHBondContact O-N 2.84Å; G636-L638 PolarHBondContact O-N 2.86Å; G636-Y639 PolarHBondContact O-N 3.07Å; G636-K640 WeakPolarHBondContact O-CG 3.42Å; G636-K640 PolarHBondContact O-N 2.91Å
637	G	64.5	Low	73.3	Confident	38 Å²	38	87.4 Å²	87.4	39%	0.392	46%	0.456	S	S	.	.	H	α-helix	trans	-61.8	-27.8	172.3	0	0	0	0	0	113.8	D635	D635-G637 PolarHBondContact O-N 3.48Å; D635-G637 VanDerWaalsContact O-N 3.12Å; D635-G637 PolarHBondContact OD1-N 3.46Å
638	L	66.5	Low	73.5	Confident	3 Å²	3	85.6 Å²	85.6	2%	0.016	45%	0.447	C	S	.	.	H	α-helix	trans	-69.4	-39.6	179.3	-73	162	0	0	0	112.6	R623 C634 D635 G636 K640 H648	R623-L638 HydrophobicContact CB-CD1 3.86Å; C634-L638 HydrophobicContact CB-CD1 4.05Å; D635-L638 HydrophobicContact CB-CD1 4.31Å; D635-L638 WeakPolarHBondContact O-CB 3.11Å; D635-L638 PolarHBondContact O-N 3.09Å; G636-L638 PolarHBondContact O-N 2.86Å; L638-K640 VanDerWaalsContact C-N 3.34Å; L638-H648 WeakPolarHBondContact CD1-CE1 3.43Å; L638-H648 WeakPolarHBondContact CD1-ND1 3.23Å; L638-H648 WeakPolarHBondContact CD1-NE2 3.48Å; L638-H648 HydrophobicContact CD2-CB 3.61Å; L638-H648 WeakPolarHBondContact CD2-CE1 3.36Å; L638-H648 VanDerWaalsContact CD2-ND1 3.31Å; L638-H648 WeakPolarHBondContact CD2-ND1 3.28Å; L638-H648 WeakPolarHBondContact CG-CE1 3.28Å
639	Y	65.3	Low	74.2	Confident	147 Å²	147	84.1 Å²	84.1	58%	0.576	44%	0.437	S	S	*	.	H	α-helix	trans	-79.8	-17.4	-179	-57.1	-72.2	0	0	0	113	C634 G636	C634-Y639 HydrophobicContact CB-CE2 3.81Å; G636-Y639 PolarHBondContact O-N 3.07Å
640	K	70.2	Confident	74.4	Confident	193 Å²	193	84.2 Å²	84.2	84%	0.839	44%	0.436	S	S	*	.	H	α-helix	trans	-82.8	-17.2	177.4	-71.5	-179.3	178	-174.6	0	114.4	G636 L638	G636-K640 WeakPolarHBondContact O-CG 3.42Å; G636-K640 PolarHBondContact O-N 2.91Å; L638-K640 VanDerWaalsContact C-N 3.34Å
641	S	77.4	Confident	74.8	Confident	50 Å²	50	81.6 Å²	81.6	35%	0.35	42%	0.42	S	S	.	.			trans	-130	112.4	179.5	175.1	0	0	0	0	111.8	Q643 A644 W645	S641-Q643 PolarHBondContact O-N 3.35Å; S641-Q643 VanDerWaalsContact O-N 3.11Å; S641-A644 PolarHBondContact O-N 3.43Å; S641-A644 VanDerWaalsContact O-N 3.12Å; S641-A644 PolarHBondContact OG-N 2.81Å; S641-W645 PolarHBondContact O-N 3.31Å
642	L	72.2	Confident	75.1	Confident	119 Å²	119	80.9 Å²	80.9	62%	0.623	41%	0.413	S	S	*	.	H	α-helix	trans	-57.7	-26	177.8	-177.5	62.8	0	0	0	112.9	K646	L642-K646 WeakPolarHBondContact O-CD 3.5Å; L642-K646 VanDerWaalsContact O-CG 3.23Å; L642-K646 WeakPolarHBondContact O-CG 3.5Å; L642-K646 PolarHBondContact O-N 3.02Å
643	Q	70	Confident	75	Confident	103 Å²	103	81.1 Å²	81.1	48%	0.481	41%	0.408	S	S	.	.	H	α-helix	trans	-78.4	-48.6	175.3	-173	55.3	35.7	0	0	111.2	S641 W645 K646 D647	S641-Q643 PolarHBondContact O-N 3.35Å; S641-Q643 VanDerWaalsContact O-N 3.11Å; Q643-W645 PolarHBondContact O-N 3.29Å; Q643-K646 PolarHBondContact O-N 3.01Å; Q643-D647 WeakPolarHBondContact CG-OD2 3.44Å; Q643-D647 PolarHBondContact NE2-OD1 3.4Å; Q643-D647 PolarHBondContact NE2-OD2 2.9Å; Q643-D647 PolarHBondContact O-N 3Å
644	A	71.7	Confident	75.1	Confident	31 Å²	31	79.7 Å²	79.7	26%	0.256	40%	0.403	S	S	.	.	H	α-helix	trans	-59.4	-35.5	176.8	0	0	0	0	0	112.6	S641 H648	S641-A644 PolarHBondContact O-N 3.43Å; S641-A644 VanDerWaalsContact O-N 3.12Å; S641-A644 PolarHBondContact OG-N 2.81Å; A644-H648 WeakPolarHBondContact O-CB 3.48Å; A644-H648 PolarHBondContact O-N 3.3Å; A644-H648 VanDerWaalsContact O-N 3.07Å
645	W	81.9	Confident	74.9	Confident	118 Å²	118	82 Å²	82	45%	0.447	41%	0.411	S	S	.	.	H	α-helix	trans	-62.8	-47.4	172.1	-174.8	85.8	0	0	0	112.6	S641 Q643 K649	S641-W645 PolarHBondContact O-N 3.31Å; Q643-W645 PolarHBondContact O-N 3.29Å; W645-K649 HydrophobicContact CE3-CD 4.42Å; W645-K649 HydrophobicContact CH2-CD 3.51Å; W645-K649 HydrophobicContact CZ2-CD 3.88Å; W645-K649 HydrophobicContact CZ3-CD 3.8Å; W645-K649 VanDerWaalsContact O-CB 3.25Å; W645-K649 WeakPolarHBondContact O-CB 3.38Å; W645-K649 PolarHBondContact O-N 3.23Å
646	K	77.7	Confident	75.1	Confident	88 Å²	88	82.8 Å²	82.8	38%	0.383	42%	0.415	S	S	.	.	H	α-helix	trans	-62	-43.9	178.4	-75.1	166.1	-174	164.4	0	111.9	L642 Q643 K649 L650	L642-K646 WeakPolarHBondContact O-CD 3.5Å; L642-K646 VanDerWaalsContact O-CG 3.23Å; L642-K646 WeakPolarHBondContact O-CG 3.5Å; L642-K646 PolarHBondContact O-N 3.02Å; Q643-K646 PolarHBondContact O-N 3.01Å; K646-K649 PolarHBondContact O-N 2.83Å; K646-L650 WeakPolarHBondContact O-CB 3.14Å; K646-L650 PolarHBondContact O-N 2.89Å
647	D	76.6	Confident	75.8	Confident	82 Å²	82	86.5 Å²	86.5	44%	0.439	42%	0.42	S	S	.	.	H	α-helix	trans	-70.1	-40	-176.7	-63.2	-30.3	0	0	0	111.6	Q643 H651	Q643-D647 WeakPolarHBondContact CG-OD2 3.44Å; Q643-D647 PolarHBondContact NE2-OD1 3.4Å; Q643-D647 PolarHBondContact NE2-OD2 2.9Å; Q643-D647 PolarHBondContact O-N 3Å; D647-H651 WeakPolarHBondContact O-CB 3.27Å; D647-H651 PolarHBondContact O-N 2.97Å
648	H	78.9	Confident	76.4	Confident	20 Å²	20	87.8 Å²	87.8	9%	0.093	42%	0.421	C	S	.	.	H	α-helix	trans	-69.6	-35.5	173.6	-168.7	-163.2	0	0	0	112.4	T621 R623 C624 L638 A644 H651 I652	T621-H648 PolarHBondContact OG1-NE2 3.49Å; R623-H648 VanDerWaalsContact CB-NE2 3.29Å; R623-H648 WeakPolarHBondContact CB-NE2 3.48Å; C624-H648 WeakPolarHBondContact CB-NE2 3.47Å; C624-H648 PolarHBondContact SG-NE2 3.25Å; L638-H648 WeakPolarHBondContact CD1-CE1 3.43Å; L638-H648 WeakPolarHBondContact CD1-ND1 3.23Å; L638-H648 WeakPolarHBondContact CD1-NE2 3.48Å; L638-H648 HydrophobicContact CD2-CB 3.61Å; L638-H648 WeakPolarHBondContact CD2-CE1 3.36Å; L638-H648 VanDerWaalsContact CD2-ND1 3.31Å; L638-H648 WeakPolarHBondContact CD2-ND1 3.28Å; L638-H648 WeakPolarHBondContact CG-CE1 3.28Å; A644-H648 WeakPolarHBondContact O-CB 3.48Å; A644-H648 PolarHBondContact O-N 3.3Å; A644-H648 VanDerWaalsContact O-N 3.07Å; H648-H651 WeakPolarHBondContact O-CB 3.34Å; H648-H651 PolarHBondContact O-N 3.35Å; H648-I652 WeakPolarHBondContact O-CG1 3.41Å; H648-I652 PolarHBondContact O-N 3.2Å
649	K	83.7	Confident	77.1	Confident	90 Å²	90	91.7 Å²	91.7	39%	0.391	44%	0.441	S	S	.	.	H	α-helix	trans	-62.8	-45.8	173.7	-175.9	172.3	-175.2	-69.1	0	111.8	W645 K646 H651 I652 E653	W645-K649 HydrophobicContact CE3-CD 4.42Å; W645-K649 HydrophobicContact CH2-CD 3.51Å; W645-K649 HydrophobicContact CZ2-CD 3.88Å; W645-K649 HydrophobicContact CZ3-CD 3.8Å; W645-K649 VanDerWaalsContact O-CB 3.25Å; W645-K649 WeakPolarHBondContact O-CB 3.38Å; W645-K649 PolarHBondContact O-N 3.23Å; K646-K649 PolarHBondContact O-N 2.83Å; K649-H651 VanDerWaalsContact C-N 3.32Å; K649-H651 PolarHBondContact O-N 3.4Å; K649-I652 PolarHBondContact O-N 3.27Å; K649-E653 IonicContact NZ-OE1 2.66Å; K649-E653 PolarHBondContact NZ-OE1 2.75Å; K649-E653 WeakPolarHBondContact O-CG 3.18Å; K649-E653 PolarHBondContact O-N 2.94Å
650	L	79.3	Confident	77.7	Confident	108 Å²	108	90.8 Å²	90.8	57%	0.565	44%	0.442	S	S	*	.	H	α-helix	trans	-61.7	-38.1	174.5	-86.7	164.9	0	0	0	112.6	K646 E653 H654	K646-L650 WeakPolarHBondContact O-CB 3.14Å; K646-L650 PolarHBondContact O-N 2.89Å; L650-E653 PolarHBondContact O-N 3.32Å; L650-H654 WeakPolarHBondContact O-CB 3.48Å; L650-H654 PolarHBondContact O-N 3.32Å
651	H	77.3	Confident	78.2	Confident	89 Å²	89	85 Å²	85	41%	0.412	42%	0.424	S	S	.	.	H	α-helix	trans	-61.4	-47.4	174.9	179.9	42.4	0	0	0	111.9	D647 H648 K649 H654 E655	D647-H651 WeakPolarHBondContact O-CB 3.27Å; D647-H651 PolarHBondContact O-N 2.97Å; H648-H651 WeakPolarHBondContact O-CB 3.34Å; H648-H651 PolarHBondContact O-N 3.35Å; K649-H651 VanDerWaalsContact C-N 3.32Å; K649-H651 PolarHBondContact O-N 3.4Å; H651-H654 PolarHBondContact O-N 3.17Å; H651-E655 WeakPolarHBondContact O-CB 3.27Å; H651-E655 PolarHBondContact O-N 2.92Å
652	I	80.5	Confident	78.2	Confident	53 Å²	53	89 Å²	89	27%	0.272	44%	0.435	S	S	.	.	H	α-helix	trans	-64.4	-42.1	177	-68.9	168.9	0	0	0	111.3	T621 H648 K649 H654 E655 I656	T621-I652 HydrophobicContact CG2-CD1 4.13Å; T621-I652 HydrophobicContact CG2-CG1 3.91Å; H648-I652 WeakPolarHBondContact O-CG1 3.41Å; H648-I652 PolarHBondContact O-N 3.2Å; K649-I652 PolarHBondContact O-N 3.27Å; I652-H654 VanDerWaalsContact C-N 3.33Å; I652-H654 PolarHBondContact O-N 3.09Å; I652-E655 PolarHBondContact O-N 3.01Å; I652-I656 HydrophobicContact CG2-CD1 3.78Å; I652-I656 HydrophobicContact CG2-CG1 4.42Å; I652-I656 WeakPolarHBondContact O-CB 2.99Å; I652-I656 VanDerWaalsContact O-CG1 3.27Å; I652-I656 WeakPolarHBondContact O-CG1 3.42Å; I652-I656 PolarHBondContact O-N 3.01Å
653	E	78.2	Confident	78.9	Confident	93 Å²	93	87.3 Å²	87.3	44%	0.435	43%	0.425	S	S	.	.	H	α-helix	trans	-59.5	-42	176.6	-75.4	172.9	169.1	0	0	112.1	K649 L650 E657	K649-E653 IonicContact NZ-OE1 2.66Å; K649-E653 PolarHBondContact NZ-OE1 2.75Å; K649-E653 WeakPolarHBondContact O-CG 3.18Å; K649-E653 PolarHBondContact O-N 2.94Å; L650-E653 PolarHBondContact O-N 3.32Å; E653-E657 PolarHBondContact O-N 3.15Å
654	H	78.8	Confident	79.7	Confident	111 Å²	111	89.5 Å²	89.5	51%	0.514	43%	0.433	S	S	.	.	H	α-helix	trans	-71.9	-35.9	177.1	-174.9	58.3	0	0	0	113.4	L650 H651 I652 E657 T658	L650-H654 WeakPolarHBondContact O-CB 3.48Å; L650-H654 PolarHBondContact O-N 3.32Å; H651-H654 PolarHBondContact O-N 3.17Å; I652-H654 VanDerWaalsContact C-N 3.33Å; I652-H654 PolarHBondContact O-N 3.09Å; H654-E657 IonicContact ND1-OE2 3.48Å; H654-E657 PolarHBondContact O-N 3.12Å; H654-T658 PolarHBondContact O-N 2.7Å; H654-T658 PolarHBondContact O-OG1 3.05Å
655	E	76.3	Confident	79.8	Confident	77 Å²	77	92 Å²	92	36%	0.36	44%	0.442	S	S	.	.	H	α-helix	trans	-66.3	-39	174.5	-171.9	161.6	-141.5	0	0	111.3	H651 I652 T658 L659	H651-E655 WeakPolarHBondContact O-CB 3.27Å; H651-E655 PolarHBondContact O-N 2.92Å; I652-E655 PolarHBondContact O-N 3.01Å; E655-T658 WeakPolarHBondContact CA-OG1 3.34Å; E655-T658 PolarHBondContact O-OG1 3.37Å; E655-T658 VanDerWaalsContact O-OG1 3.11Å; E655-L659 HydrophobicContact CG-CD1 4.05Å; E655-L659 HydrophobicContact CG-CG 4.5Å; E655-L659 VanDerWaalsContact O-CB 3.3Å; E655-L659 WeakPolarHBondContact O-CB 3.29Å; E655-L659 VanDerWaalsContact O-CG 3.24Å; E655-L659 WeakPolarHBondContact O-CG 3.5Å; E655-L659 PolarHBondContact O-N 2.96Å
656	I	82.9	Confident	79.7	Confident	84 Å²	84	91.5 Å²	91.5	43%	0.431	45%	0.448	S	S	.	.	H	α-helix	trans	-61.7	-47.6	171.8	-69.7	166.6	0	0	0	111	I652 T658 L659 Q660	I652-I656 HydrophobicContact CG2-CD1 3.78Å; I652-I656 HydrophobicContact CG2-CG1 4.42Å; I652-I656 WeakPolarHBondContact O-CB 2.99Å; I652-I656 VanDerWaalsContact O-CG1 3.27Å; I652-I656 WeakPolarHBondContact O-CG1 3.42Å; I652-I656 PolarHBondContact O-N 3.01Å; I656-T658 PolarHBondContact O-N 3.4Å; I656-L659 PolarHBondContact O-N 3.24Å; I656-Q660 HydrophobicContact CG2-CG 4.3Å; I656-Q660 WeakPolarHBondContact O-CB 3.42Å; I656-Q660 VanDerWaalsContact O-CG 3.28Å; I656-Q660 WeakPolarHBondContact O-CG 3.46Å; I656-Q660 PolarHBondContact O-N 2.95Å
657	E	82.9	Confident	79.9	Confident	119 Å²	119	96.1 Å²	96.1	56%	0.556	46%	0.463	S	S	*	.	H	α-helix	trans	-61.4	-43.4	179.9	-175.8	178.7	-143.3	0	0	112.4	E653 H654 Q660 T661	E653-E657 PolarHBondContact O-N 3.15Å; H654-E657 IonicContact ND1-OE2 3.48Å; H654-E657 PolarHBondContact O-N 3.12Å; E657-Q660 PolarHBondContact O-N 3.13Å; E657-T661 WeakPolarHBondContact O-CB 3.47Å; E657-T661 PolarHBondContact O-N 2.92Å; E657-T661 PolarHBondContact O-OG1 3.39Å
658	T	76.3	Confident	80.1	Confident	65 Å²	65	99 Å²	99	40%	0.399	47%	0.473	S	S	.	.	H	α-helix	trans	-69.9	-38	178.1	48.9	0	0	0	0	112.3	H654 E655 I656 T661 K662	H654-T658 PolarHBondContact O-N 2.7Å; H654-T658 PolarHBondContact O-OG1 3.05Å; E655-T658 WeakPolarHBondContact CA-OG1 3.34Å; E655-T658 PolarHBondContact O-OG1 3.37Å; E655-T658 VanDerWaalsContact O-OG1 3.11Å; I656-T658 PolarHBondContact O-N 3.4Å; T658-T661 PolarHBondContact O-N 3.03Å; T658-K662 WeakPolarHBondContact O-CB 3.2Å; T658-K662 PolarHBondContact O-N 3.45Å
659	L	80.3	Confident	80	Confident	86 Å²	86	101.8 Å²	101.8	45%	0.45	49%	0.492	S	S	.	.	H	α-helix	trans	-67.4	-41.8	172.9	-72.8	173.3	0	0	0	112.5	E655 I656 T661 K662 I663	E655-L659 HydrophobicContact CG-CD1 4.05Å; E655-L659 HydrophobicContact CG-CG 4.5Å; E655-L659 VanDerWaalsContact O-CB 3.3Å; E655-L659 WeakPolarHBondContact O-CB 3.29Å; E655-L659 VanDerWaalsContact O-CG 3.24Å; E655-L659 WeakPolarHBondContact O-CG 3.5Å; E655-L659 PolarHBondContact O-N 2.96Å; I656-L659 PolarHBondContact O-N 3.24Å; L659-T661 VanDerWaalsContact C-N 3.32Å; L659-T661 PolarHBondContact O-N 3.47Å; L659-K662 WeakPolarHBondContact O-CB 3.26Å; L659-K662 PolarHBondContact O-N 2.95Å; L659-I663 WeakPolarHBondContact O-CB 3.32Å; L659-I663 VanDerWaalsContact O-CG1 3.3Å; L659-I663 WeakPolarHBondContact O-CG1 3.39Å; L659-I663 PolarHBondContact O-N 3.47Å
660	Q	79.6	Confident	80	Confident	127 Å²	127	104.2 Å²	104.2	59%	0.593	50%	0.502	S	S	*	.	H	α-helix	trans	-59.9	-42.9	173.2	-75.7	-178.7	14.4	0	0	111.5	I656 E657 I663 K664	I656-Q660 HydrophobicContact CG2-CG 4.3Å; I656-Q660 WeakPolarHBondContact O-CB 3.42Å; I656-Q660 VanDerWaalsContact O-CG 3.28Å; I656-Q660 WeakPolarHBondContact O-CG 3.46Å; I656-Q660 PolarHBondContact O-N 2.95Å; E657-Q660 PolarHBondContact O-N 3.13Å; Q660-I663 PolarHBondContact O-N 3.28Å; Q660-K664 WeakPolarHBondContact O-CB 3.36Å; Q660-K664 PolarHBondContact O-N 2.8Å
661	T	79.9	Confident	79.9	Confident	73 Å²	73	100.5 Å²	100.5	45%	0.448	49%	0.491	S	S	.	.	H	α-helix	trans	-62.6	-43	175.4	-58.4	0	0	0	0	111.5	E657 T658 L659 K664 N665	E657-T661 WeakPolarHBondContact O-CB 3.47Å; E657-T661 PolarHBondContact O-N 2.92Å; E657-T661 PolarHBondContact O-OG1 3.39Å; T658-T661 PolarHBondContact O-N 3.03Å; L659-T661 VanDerWaalsContact C-N 3.32Å; L659-T661 PolarHBondContact O-N 3.47Å; T661-K664 WeakPolarHBondContact O-CB 3.43Å; T661-K664 PolarHBondContact O-N 3.36Å; T661-N665 VanDerWaalsContact O-CG 3.22Å; T661-N665 PolarHBondContact O-N 3.27Å; T661-N665 PolarHBondContact O-OD1 3.09Å
662	K	77.4	Confident	79.8	Confident	133 Å²	133	102.1 Å²	102.1	58%	0.578	50%	0.498	S	S	*	.	H	α-helix	trans	-62.4	-42.4	175	-167.5	176.9	-177.2	-178.6	0	111.8	T658 L659 N665 L666	T658-K662 WeakPolarHBondContact O-CB 3.2Å; T658-K662 PolarHBondContact O-N 3.45Å; L659-K662 WeakPolarHBondContact O-CB 3.26Å; L659-K662 PolarHBondContact O-N 2.95Å; K662-N665 PolarHBondContact O-N 2.61Å; K662-L666 HydrophobicContact CG-CD1 4.3Å; K662-L666 WeakPolarHBondContact O-CB 3.34Å; K662-L666 VanDerWaalsContact O-CG 3.29Å; K662-L666 WeakPolarHBondContact O-CG 3.21Å; K662-L666 PolarHBondContact O-N 2.71Å
663	I	87.1	Confident	79.3	Confident	84 Å²	84	105 Å²	105	43%	0.431	51%	0.513	S	S	.	.	H	α-helix	trans	-64.6	-40.8	175.1	-70.8	165.2	0	0	0	111.2	L659 Q660 L666 R667	L659-I663 WeakPolarHBondContact O-CB 3.32Å; L659-I663 VanDerWaalsContact O-CG1 3.3Å; L659-I663 WeakPolarHBondContact O-CG1 3.39Å; L659-I663 PolarHBondContact O-N 3.47Å; Q660-I663 PolarHBondContact O-N 3.28Å; I663-L666 PolarHBondContact O-N 3.04Å; I663-R667 HydrophobicContact CG2-CG 4.36Å; I663-R667 WeakPolarHBondContact O-CB 3.44Å; I663-R667 VanDerWaalsContact O-CG 3.29Å; I663-R667 WeakPolarHBondContact O-CG 3.44Å; I663-R667 PolarHBondContact O-N 3.27Å
664	K	86	Confident	79	Confident	149 Å²	149	108.5 Å²	108.5	65%	0.648	53%	0.527	S	S	*	.	H	α-helix	trans	-59.3	-49.3	175.2	-175.5	-177.4	177.9	-177	0	111.2	Q660 T661 L666 R667 E668	Q660-K664 WeakPolarHBondContact O-CB 3.36Å; Q660-K664 PolarHBondContact O-N 2.8Å; T661-K664 WeakPolarHBondContact O-CB 3.43Å; T661-K664 PolarHBondContact O-N 3.36Å; K664-L666 VanDerWaalsContact C-N 3.34Å; K664-L666 PolarHBondContact O-N 3.21Å; K664-R667 WeakPolarHBondContact O-CB 3.4Å; K664-R667 PolarHBondContact O-N 2.89Å; K664-E668 PolarHBondContact O-N 3.1Å
665	N	74.7	Confident	78.7	Confident	83 Å²	83	112.1 Å²	112.1	44%	0.444	54%	0.541	S	S	.	.	H	α-helix	trans	-63.4	-39.2	178.4	-61.7	-6.3	0	0	0	111.5	T661 K662 E668 V669	T661-N665 VanDerWaalsContact O-CG 3.22Å; T661-N665 PolarHBondContact O-N 3.27Å; T661-N665 PolarHBondContact O-OD1 3.09Å; K662-N665 PolarHBondContact O-N 2.61Å; N665-E668 PolarHBondContact O-N 3.19Å; N665-V669 WeakPolarHBondContact O-CG2 3.26Å; N665-V669 PolarHBondContact O-N 2.81Å
666	L	78.5	Confident	78.2	Confident	107 Å²	107	112.9 Å²	112.9	56%	0.56	55%	0.551	S	S	*	*	H	α-helix	trans	-69.4	-32.4	175.2	-71.9	169.9	0	0	0	113	K662 I663 K664 K670	K662-L666 HydrophobicContact CG-CD1 4.3Å; K662-L666 WeakPolarHBondContact O-CB 3.34Å; K662-L666 VanDerWaalsContact O-CG 3.29Å; K662-L666 WeakPolarHBondContact O-CG 3.21Å; K662-L666 PolarHBondContact O-N 2.71Å; I663-L666 PolarHBondContact O-N 3.04Å; K664-L666 VanDerWaalsContact C-N 3.34Å; K664-L666 PolarHBondContact O-N 3.21Å; L666-K670 VanDerWaalsContact O-CB 3.28Å; L666-K670 WeakPolarHBondContact O-CB 3.3Å; L666-K670 PolarHBondContact O-N 2.92Å
667	R	82.6	Confident	76.9	Confident	186 Å²	186	116.9 Å²	116.9	70%	0.702	56%	0.561	S	S	*	*	H	α-helix	trans	-66.8	-39	171	-75.2	173.3	-179.5	-171	1.1	111.5	I663 K664 K670 G671	I663-R667 HydrophobicContact CG2-CG 4.36Å; I663-R667 WeakPolarHBondContact O-CB 3.44Å; I663-R667 VanDerWaalsContact O-CG 3.29Å; I663-R667 WeakPolarHBondContact O-CG 3.44Å; I663-R667 PolarHBondContact O-N 3.27Å; K664-R667 WeakPolarHBondContact O-CB 3.4Å; K664-R667 PolarHBondContact O-N 2.89Å; R667-K670 PolarHBondContact O-N 3.02Å; R667-G671 PolarHBondContact O-N 3.07Å
668	E	81.1	Confident	75.5	Confident	141 Å²	141	116.1 Å²	116.1	66%	0.659	57%	0.566	S	S	*	*	H	α-helix	trans	-65.1	-45.4	174.5	-172.8	169.9	-147.8	0	0	111.6	K664 N665 K670 G671 H672	K664-E668 PolarHBondContact O-N 3.1Å; N665-E668 PolarHBondContact O-N 3.19Å; E668-K670 PolarHBondContact O-N 2.85Å; E668-G671 CarbonylContact O-C 3.57Å; E668-G671 WeakPolarHBondContact O-CA 3.29Å; E668-G671 PolarHBondContact O-N 2.99Å; E668-G671 VanDerWaalsContact O-N 3.15Å; E668-H672 PolarHBondContact O-N 2.8Å
669	V	77.7	Confident	74.2	Confident	79 Å²	79	122.2 Å²	122.2	48%	0.479	59%	0.59	S	S	.	*	H	α-helix	trans	-61.2	-43.4	172.2	171.8	0	0	0	0	111.7	N665 G671 H672 L673	N665-V669 WeakPolarHBondContact O-CG2 3.26Å; N665-V669 PolarHBondContact O-N 2.81Å; V669-G671 VanDerWaalsContact C-N 3.28Å; V669-G671 PolarHBondContact O-N 3.32Å; V669-H672 PolarHBondContact O-N 2.83Å; V669-L673 HydrophobicContact CG1-CD1 3.98Å; V669-L673 HydrophobicContact CG1-CG 4.36Å; V669-L673 WeakPolarHBondContact O-CG 3.3Å; V669-L673 PolarHBondContact O-N 3.41Å
670	K	82.1	Confident	72.5	Confident	141 Å²	141	124.8 Å²	124.8	61%	0.613	60%	0.6	S	S	*	*	H	α-helix	trans	-62.3	-35	174	-176.6	171.1	-179.6	172	0	112.1	L666 R667 E668 K674	L666-K670 VanDerWaalsContact O-CB 3.28Å; L666-K670 WeakPolarHBondContact O-CB 3.3Å; L666-K670 PolarHBondContact O-N 2.92Å; R667-K670 PolarHBondContact O-N 3.02Å; E668-K670 PolarHBondContact O-N 2.85Å; K670-K674 WeakPolarHBondContact O-CB 3.36Å; K670-K674 PolarHBondContact O-N 2.92Å
671	G	77.5	Confident	70.3	Confident	31 Å²	31	124.7 Å²	124.7	32%	0.32	61%	0.612	S	S	.	*	H	α-helix	trans	-66.8	-40.9	172.3	0	0	0	0	0	112.8	R667 E668 V669 K674 K675	R667-G671 PolarHBondContact O-N 3.07Å; E668-G671 CarbonylContact O-C 3.57Å; E668-G671 WeakPolarHBondContact O-CA 3.29Å; E668-G671 PolarHBondContact O-N 2.99Å; E668-G671 VanDerWaalsContact O-N 3.15Å; V669-G671 VanDerWaalsContact C-N 3.28Å; V669-G671 PolarHBondContact O-N 3.32Å; G671-K674 PolarHBondContact O-N 2.87Å; G671-K675 WeakPolarHBondContact O-CG 3.4Å; G671-K675 PolarHBondContact O-N 3.5Å; G671-K675 VanDerWaalsContact O-N 3.1Å
672	H	75.8	Confident	68	Low	122 Å²	122	130.4 Å²	130.4	57%	0.565	63%	0.633	S	S	*	*	H	α-helix	trans	-65.3	-46.8	173.8	-175.7	63.9	0	0	0	111.6	E668 V669 K674 K675 V676	E668-H672 PolarHBondContact O-N 2.8Å; V669-H672 PolarHBondContact O-N 2.83Å; H672-K674 VanDerWaalsContact C-N 3.29Å; H672-K674 PolarHBondContact O-N 3Å; H672-K675 CarbonylContact O-C 3.55Å; H672-K675 WeakPolarHBondContact O-CA 3.47Å; H672-K675 PolarHBondContact O-N 3.35Å; H672-V676 WeakPolarHBondContact O-CG2 3.41Å; H672-V676 PolarHBondContact O-N 3.17Å
673	L	70.2	Confident	66.2	Low	114 Å²	114	129.2 Å²	129.2	60%	0.597	64%	0.641	S	S	*	*	H	α-helix	trans	-62.3	-32.8	176.1	-68.7	171.7	0	0	0	112.7	V669 V676 R677	V669-L673 HydrophobicContact CG1-CD1 3.98Å; V669-L673 HydrophobicContact CG1-CG 4.36Å; V669-L673 WeakPolarHBondContact O-CG 3.3Å; V669-L673 PolarHBondContact O-N 3.41Å; L673-V676 CarbonylContact O-C 3.59Å; L673-R677 PolarHBondContact O-N 3.24Å
674	K	71.4	Confident	63.8	Low	167 Å²	167	133 Å²	133	73%	0.726	66%	0.662	S	S	*	*	H	α-helix	trans	-67.3	-35	169.4	-86.1	-164.1	167.5	-159.8	0	113.3	K670 G671 H672	K670-K674 WeakPolarHBondContact O-CB 3.36Å; K670-K674 PolarHBondContact O-N 2.92Å; G671-K674 PolarHBondContact O-N 2.87Å; H672-K674 VanDerWaalsContact C-N 3.29Å; H672-K674 PolarHBondContact O-N 3Å
675	K	73.1	Confident	61.4	Low	187 Å²	187	130.4 Å²	130.4	81%	0.813	67%	0.668	S	S	*	*	H	α-helix	trans	-79.2	-19.2	178.4	-74	-179.2	177.1	-171.6	0	113.8	G671 H672	G671-K675 WeakPolarHBondContact O-CG 3.4Å; G671-K675 PolarHBondContact O-N 3.5Å; G671-K675 VanDerWaalsContact O-N 3.1Å; H672-K675 CarbonylContact O-C 3.55Å; H672-K675 WeakPolarHBondContact O-CA 3.47Å; H672-K675 PolarHBondContact O-N 3.35Å
676	V	66.1	Low	59.7	Low	93 Å²	93	132.7 Å²	132.7	56%	0.564	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120	36.1	178.7	-162.5	0	0	0	0	109.7	H672 L673 P678	H672-V676 WeakPolarHBondContact O-CG2 3.41Å; H672-V676 PolarHBondContact O-N 3.17Å; L673-V676 CarbonylContact O-C 3.59Å; V676-P678 WeakPolarHBondContact O-CD 3.37Å
677	R	55.6	Low	58	Low	168 Å²	168	131.9 Å²	131.9	63%	0.634	69%	0.691	S	S	*	*	P	Polyproline II helix	trans	-69.8	120.8	168.7	-178.2	-177.2	-177.6	179.8	3.1	107.5	L673 E680	L673-R677 PolarHBondContact O-N 3.24Å; R677-E680 IonicContact CZ-OE1 3.27Å; R677-E680 IonicContact NE-OE1 2.77Å; R677-E680 PolarHBondContact NE-OE1 2.95Å; R677-E680 IonicContact NH2-OE1 2.62Å; R677-E680 PolarHBondContact NH2-OE1 2.82Å; R677-E680 IonicContact NH2-OE2 3.14Å; R677-E680 PolarHBondContact NH2-OE2 3.08Å
678	P	52.7	Low	55.8	Low	103 Å²	103	129.5 Å²	129.5	67%	0.669	69%	0.692	S	S	*	*	P	Polyproline II helix	trans	-65.1	142.4	168.6	-15.8	31.1	0	0	0	109.6	V676	V676-P678 WeakPolarHBondContact O-CD 3.37Å
679	E	48.8	Very low	53.5	Low	192 Å²	192	130 Å²	130	90%	0.897	70%	0.698	S	S	*	*	P	Polyproline II helix	trans	-69.7	144.1	171.1	-66.8	179.8	172.9	0	0	110.2
680	E	43.9	Very low	51.8	Low	140 Å²	140	134.4 Å²	134.4	65%	0.654	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-85.6	122.5	-173.6	-81.5	148	-146.7	0	0	110.5	R677 Q682	R677-E680 IonicContact CZ-OE1 3.27Å; R677-E680 IonicContact NE-OE1 2.77Å; R677-E680 PolarHBondContact NE-OE1 2.95Å; R677-E680 IonicContact NH2-OE1 2.62Å; R677-E680 PolarHBondContact NH2-OE1 2.82Å; R677-E680 IonicContact NH2-OE2 3.14Å; R677-E680 PolarHBondContact NH2-OE2 3.08Å; E680-Q682 PolarHBondContact O-N 2.85Å
681	C	34.1	Very low	49.8	Very low	125 Å²	125	136.9 Å²	136.9	85%	0.845	73%	0.729	S	S	*	*			trans	-63.3	102.7	178.3	-67.8	0	0	0	0	111.2	C683	C681-C683 PolarHBondContact O-N 3.45Å; C681-C683 VanDerWaalsContact O-N 3.15Å
682	Q	32.1	Very low	47.9	Very low	193 Å²	193	140.1 Å²	140.1	90%	0.902	75%	0.747	S	S	*	*			trans	-74.2	99.6	168.4	-69	-175.1	-12.4	0	0	110.1	E680 N684	E680-Q682 PolarHBondContact O-N 2.85Å; Q682-N684 PolarHBondContact O-N 3.38Å
683	C	38.3	Very low	46	Very low	109 Å²	109	143.9 Å²	143.9	74%	0.736	76%	0.762	S	S	*	*			trans	-77.3	105.8	165.9	-69.9	0	0	0	0	109.5	C681	C681-C683 PolarHBondContact O-N 3.45Å; C681-C683 VanDerWaalsContact O-N 3.15Å
684	N	38.3	Very low	44.3	Very low	163 Å²	163	147 Å²	147	87%	0.872	77%	0.773	S	S	*	*			trans	161	92	131.1	-79.1	-14.8	0	0	0	113.1	Q682	Q682-N684 PolarHBondContact O-N 3.38Å
685	A	34.9	Very low	42.7	Very low	95 Å²	95	142.5 Å²	142.5	79%	0.785	77%	0.767	S	S	*	*			trans	-153	148.2	153.2	0	0	0	0	0	108.5
686	P	38.5	Very low	40.8	Very low	130 Å²	130	143 Å²	143	84%	0.844	77%	0.766	S	S	*	*			trans	-82.3	179.6	-170.4	33.7	-36.6	0	0	0	114.3
687	S	43.5	Very low	39.4	Very low	91 Å²	91	145.7 Å²	145.7	64%	0.636	78%	0.776	S	S	*	*			trans	-46.1	132.7	179.9	-169.9	0	0	0	0	114.5
688	D	35.2	Very low	38.5	Very low	135 Å²	135	144.4 Å²	144.4	72%	0.722	78%	0.781	S	S	*	*				-176.8	108.1	105.4	-90.5	-10.7	0	0	0	113.5
689	L	33.2	Very low	37.6	Very low	152 Å²	152	145.3 Å²	145.3	80%	0.796	78%	0.78	S	S	*	*			trans	-178.8	97.5	130.3	-122.8	70.2	0	0	0	112.3	K691	L689-K691 PolarHBondContact O-N 3.15Å
690	L	43.3	Very low	36.9	Very low	171 Å²	171	140.9 Å²	140.9	90%	0.895	77%	0.766	S	S	*	*			trans	-82.2	90.3	155.5	-87	86.5	0	0	0	109.1
691	K	40	Very low	36.4	Very low	193 Å²	193	142.2 Å²	142.2	84%	0.839	77%	0.772	S	S	*	*			trans	-168.4	65.4	167.6	-112.4	162	-171.6	-179.7	0	114.8	L689	L689-K691 PolarHBondContact O-N 3.15Å
692	S	36.5	Very low	36.7	Very low	100 Å²	100	144.5 Å²	144.5	70%	0.699	77%	0.771	S	S	*	*			trans	-159.5	-5	169.2	60.5	0	0	0	0	116.8	E694	S692-E694 VanDerWaalsContact C-N 3.31Å; S692-E694 PolarHBondContact O-N 3.17Å
693	K	36.9	Very low	36.7	Very low	201 Å²	201	143.2 Å²	143.2	87%	0.874	77%	0.767	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.1	16.2	-163.6	-143.2	175.7	-175.3	175.2	0	116.4
694	E	34.7	Very low	36.9	Very low	178 Å²	178	146.4 Å²	146.4	83%	0.832	77%	0.77	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.7	-20.2	177.6	-68.1	173.2	135.9	0	0	112.6	S692 Y696	S692-E694 VanDerWaalsContact C-N 3.31Å; S692-E694 PolarHBondContact O-N 3.17Å; E694-Y696 VanDerWaalsContact C-N 3.3Å; E694-Y696 PolarHBondContact O-N 3.48Å
695	A	37	Very low	36.9	Very low	73 Å²	73	144 Å²	144	60%	0.603	77%	0.767	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.3	-13.2	-176.8	0	0	0	0	0	115.1
696	Y	33.3	Very low	37.1	Very low	199 Å²	199	146.8 Å²	146.8	78%	0.78	77%	0.767	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.4	-0.6	-171.4	-94.1	-84.5	0	0	0	115.7	E694	E694-Y696 VanDerWaalsContact C-N 3.3Å; E694-Y696 PolarHBondContact O-N 3.48Å
697	L	37.2	Very low	37.3	Very low	148 Å²	148	152.5 Å²	152.5	78%	0.775	77%	0.772	S	S	*	*	S	Bend	trans	-90.9	-15.6	178.1	-82.5	166	0	0	0	114.4
698	L	35.8	Very low	37.5	Very low	142 Å²	142	152.3 Å²	152.3	74%	0.743	77%	0.767	S	S	*	*	S	Bend	trans	-89.2	-18.6	-177.1	-84.6	160.1	0	0	0	115.1
699	N	34.4	Very low	38.2	Very low	121 Å²	121	149.6 Å²	149.6	65%	0.647	76%	0.756	S	S	*	*	S	Bend	trans	-93.1	9.8	-175.5	-84.3	-22.4	0	0	0	115.2
700	V	34.2	Very low	39.1	Very low	100 Å²	100	147 Å²	147	61%	0.606	75%	0.751	S	S	*	*	S	Bend	trans	-93.5	-26.7	-179.3	-177	0	0	0	0	112.7
701	E	33.6	Very low	39.4	Very low	168 Å²	168	147 Å²	147	79%	0.785	74%	0.744	S	S	*	*	G	3₁₀ helix	trans	-75.5	-29	-176.7	-63.5	-162.3	119	0	0	113.7	M703	E701-M703 PolarHBondContact O-N 3.5Å
702	Q	39.1	Very low	39.8	Very low	173 Å²	173	143.4 Å²	143.4	81%	0.808	73%	0.73	S	S	*	*	G	3₁₀ helix	trans	-78.7	-13	-176.3	-85.2	-171.3	-11.6	0	0	115.8
703	M	33.7	Very low	40.7	Very low	166 Å²	166	145.5 Å²	145.5	82%	0.818	73%	0.726	S	S	*	*	G	3₁₀ helix	trans	-90.5	3.4	179	-73.7	-146.7	76.1	0	0	115.2	E701	E701-M703 PolarHBondContact O-N 3.5Å
704	H	41.4	Very low	41.6	Very low	175 Å²	175	139.3 Å²	139.3	81%	0.81	71%	0.705	S	S	*	*	G	3₁₀ helix	trans	-101	11.6	-179.1	-100.2	-46.9	0	0	0	116.6	L706	H704-L706 PolarHBondContact O-N 3.3Å
705	S	38.9	Very low	42.6	Very low	114 Å²	114	136 Å²	136	80%	0.797	69%	0.69	S	S	*	*			trans	-96.3	45.3	174.1	-153.6	0	0	0	0	114.5
706	L	39.3	Very low	44.3	Very low	152 Å²	152	140.3 Å²	140.3	80%	0.796	69%	0.691	S	S	*	*			trans	-112.9	109.7	162.5	-81.8	177.6	0	0	0	109.6	H704 V708	H704-L706 PolarHBondContact O-N 3.3Å; L706-V708 VanDerWaalsContact C-N 3.26Å; L706-V708 PolarHBondContact O-N 3.43Å
707	R	43.1	Very low	45.7	Very low	250 Å²	250	134.8 Å²	134.8	94%	0.943	67%	0.674	S	S	*	*			trans	-79.5	64.5	-166.7	-152.1	177.5	-161.3	179.4	5.4	112.4
708	V	46.4	Very low	46.9	Very low	87 Å²	87	133.1 Å²	133.1	53%	0.527	66%	0.662	S	S	.	*			trans	-49	124.2	179.9	177.5	0	0	0	0	110.8	L706 S710 Q712	L706-V708 VanDerWaalsContact C-N 3.26Å; L706-V708 PolarHBondContact O-N 3.43Å; V708-S710 PolarHBondContact O-N 3.09Å; V708-Q712 HydrophobicContact CG1-CB 3.91Å
709	P	49.3	Very low	48.4	Very low	78 Å²	78	132.8 Å²	132.8	51%	0.506	66%	0.655	S	S	.	*			trans	-55.7	137.6	-176.1	-28.6	35.1	0	0	0	113.3	K711 Q712 K713	P709-K711 PolarHBondContact O-N 3.09Å; P709-Q712 WeakPolarHBondContact O-CB 3.49Å; P709-Q712 PolarHBondContact O-N 3.09Å; P709-K713 PolarHBondContact O-N 3.1Å
710	S	52.4	Low	50.3	Low	97 Å²	97	129.1 Å²	129.1	68%	0.678	63%	0.634	S	S	*	*	H	α-helix	trans	-50	-38.9	-175.6	178.7	0	0	0	0	113.9	V708 Q712 K713 T714	V708-S710 PolarHBondContact O-N 3.09Å; S710-Q712 VanDerWaalsContact C-N 3.34Å; S710-Q712 PolarHBondContact O-N 2.84Å; S710-K713 PolarHBondContact O-N 2.83Å; S710-T714 PolarHBondContact O-N 2.81Å; S710-T714 PolarHBondContact O-OG1 3.34Å
711	K	50	Low	52	Low	173 Å²	173	129.8 Å²	129.8	75%	0.752	63%	0.63	S	S	*	*	H	α-helix	trans	-60.3	-35.6	174.7	-73.7	-176.7	176.1	176.9	0	113.5	P709 T714 Q715	P709-K711 PolarHBondContact O-N 3.09Å; K711-T714 WeakPolarHBondContact CA-OG1 3.28Å; K711-T714 PolarHBondContact O-OG1 3.34Å; K711-T714 VanDerWaalsContact O-OG1 3.11Å; K711-Q715 WeakPolarHBondContact O-CB 3.15Å; K711-Q715 WeakPolarHBondContact O-CG 3.4Å; K711-Q715 PolarHBondContact O-N 2.97Å
712	Q	49.6	Very low	53.6	Low	116 Å²	116	128.3 Å²	128.3	54%	0.542	62%	0.622	S	S	.	*	H	α-helix	trans	-73.9	-41.5	177.9	-68.5	-175.9	-4.8	0	0	111.5	V708 P709 S710 T714 Q715 W716	V708-Q712 HydrophobicContact CG1-CB 3.91Å; P709-Q712 WeakPolarHBondContact O-CB 3.49Å; P709-Q712 PolarHBondContact O-N 3.09Å; S710-Q712 VanDerWaalsContact C-N 3.34Å; S710-Q712 PolarHBondContact O-N 2.84Å; Q712-T714 PolarHBondContact O-N 2.89Å; Q712-Q715 PolarHBondContact O-N 3.44Å; Q712-W716 WeakPolarHBondContact O-CB 3.27Å; Q712-W716 PolarHBondContact O-N 2.87Å
713	K	54.9	Low	55	Low	145 Å²	145	128.9 Å²	128.9	63%	0.63	62%	0.616	S	S	*	*	H	α-helix	trans	-62.4	-41	176.6	-167	169.4	-177	174	0	111.7	P709 S710 W716 L717	P709-K713 PolarHBondContact O-N 3.1Å; S710-K713 PolarHBondContact O-N 2.83Å; K713-W716 PolarHBondContact O-N 3.29Å; K713-L717 WeakPolarHBondContact O-CB 3.4Å; K713-L717 WeakPolarHBondContact O-CG 3.3Å; K713-L717 PolarHBondContact O-N 3.01Å
714	T	55.6	Low	56.8	Low	70 Å²	70	127.9 Å²	127.9	43%	0.429	60%	0.603	S	S	.	*	H	α-helix	trans	-67.7	-42.4	172.9	37.7	0	0	0	0	113	S710 K711 Q712 W716 L717 Q718	S710-T714 PolarHBondContact O-N 2.81Å; S710-T714 PolarHBondContact O-OG1 3.34Å; K711-T714 WeakPolarHBondContact CA-OG1 3.28Å; K711-T714 PolarHBondContact O-OG1 3.34Å; K711-T714 VanDerWaalsContact O-OG1 3.11Å; Q712-T714 PolarHBondContact O-N 2.89Å; T714-W716 VanDerWaalsContact C-N 3.34Å; T714-W716 PolarHBondContact O-N 2.9Å; T714-L717 PolarHBondContact O-N 3.46Å; T714-Q718 WeakPolarHBondContact O-CG 3.38Å; T714-Q718 PolarHBondContact O-N 2.8Å
715	Q	55.9	Low	58	Low	109 Å²	109	126.1 Å²	126.1	51%	0.509	59%	0.593	S	S	.	*	H	α-helix	trans	-60.9	-40.4	172.9	-81.2	-167.4	13.2	0	0	112.9	K711 Q712 Q718 K719	K711-Q715 WeakPolarHBondContact O-CB 3.15Å; K711-Q715 WeakPolarHBondContact O-CG 3.4Å; K711-Q715 PolarHBondContact O-N 2.97Å; Q712-Q715 PolarHBondContact O-N 3.44Å; Q715-Q718 PolarHBondContact O-N 2.83Å; Q715-K719 WeakPolarHBondContact O-CB 3.25Å; Q715-K719 VanDerWaalsContact O-CG 3.32Å; Q715-K719 WeakPolarHBondContact O-CG 3.31Å; Q715-K719 PolarHBondContact O-N 3.18Å
716	W	71.1	Confident	59.4	Low	164 Å²	164	128.6 Å²	128.6	62%	0.621	59%	0.59	S	S	*	*	H	α-helix	trans	-63.6	-47.9	176.9	-176.3	93.5	0	0	0	110.9	Q712 K713 T714 Q718 K719 E720	Q712-W716 WeakPolarHBondContact O-CB 3.27Å; Q712-W716 PolarHBondContact O-N 2.87Å; K713-W716 PolarHBondContact O-N 3.29Å; T714-W716 VanDerWaalsContact C-N 3.34Å; T714-W716 PolarHBondContact O-N 2.9Å; W716-Q718 VanDerWaalsContact C-N 3.31Å; W716-Q718 PolarHBondContact O-N 3.1Å; W716-K719 PolarHBondContact O-N 3.07Å; W716-K719 VanDerWaalsContact O-N 3.16Å; W716-E720 HydrophobicContact CH2-CG 4.48Å; W716-E720 WeakPolarHBondContact O-CB 3.4Å; W716-E720 PolarHBondContact O-N 3.29Å
717	L	64.8	Low	60.8	Low	83 Å²	83	125.9 Å²	125.9	44%	0.435	58%	0.576	S	S	.	*	H	α-helix	trans	-58.5	-40.2	174.7	-74.2	167.7	0	0	0	112.3	K713 T714 E720 Q721	K713-L717 WeakPolarHBondContact O-CB 3.4Å; K713-L717 WeakPolarHBondContact O-CG 3.3Å; K713-L717 PolarHBondContact O-N 3.01Å; T714-L717 PolarHBondContact O-N 3.46Å; L717-E720 PolarHBondContact O-N 3.27Å; L717-Q721 WeakPolarHBondContact O-CB 3.33Å; L717-Q721 WeakPolarHBondContact O-CG 3.23Å; L717-Q721 PolarHBondContact O-N 3.05Å
718	Q	60.9	Low	62	Low	112 Å²	112	123.2 Å²	123.2	52%	0.523	57%	0.565	S	S	.	*	H	α-helix	trans	-68.1	-40.8	174.7	-72.6	-177.4	9.9	0	0	112.9	T714 Q715 W716 E720 K722	T714-Q718 WeakPolarHBondContact O-CG 3.38Å; T714-Q718 PolarHBondContact O-N 2.8Å; Q715-Q718 PolarHBondContact O-N 2.83Å; W716-Q718 VanDerWaalsContact C-N 3.31Å; W716-Q718 PolarHBondContact O-N 3.1Å; Q718-E720 VanDerWaalsContact C-N 3.33Å; Q718-K722 WeakPolarHBondContact O-CB 3.16Å; Q718-K722 VanDerWaalsContact O-CG 3.27Å; Q718-K722 WeakPolarHBondContact O-CG 3.39Å; Q718-K722 PolarHBondContact O-N 3.37Å
719	K	67.4	Low	62.9	Low	135 Å²	135	126.6 Å²	126.6	59%	0.587	57%	0.573	S	S	*	*	H	α-helix	trans	-62.4	-41.5	174.5	-76.7	170.6	179.4	172.3	0	110.8	Q715 W716 K722 R723	Q715-K719 WeakPolarHBondContact O-CB 3.25Å; Q715-K719 VanDerWaalsContact O-CG 3.32Å; Q715-K719 WeakPolarHBondContact O-CG 3.31Å; Q715-K719 PolarHBondContact O-N 3.18Å; W716-K719 PolarHBondContact O-N 3.07Å; W716-K719 VanDerWaalsContact O-N 3.16Å; K719-K722 PolarHBondContact O-N 3.16Å; K719-R723 PolarHBondContact O-N 2.82Å
720	E	75.6	Confident	63.6	Low	44 Å²	44	128.5 Å²	128.5	21%	0.206	57%	0.574	C	S	.	*	H	α-helix	trans	-72.5	-40.1	178.8	179	57	-171.9	0	0	112.3	W716 L717 Q718 K722 R723 R724	W716-E720 HydrophobicContact CH2-CG 4.48Å; W716-E720 WeakPolarHBondContact O-CB 3.4Å; W716-E720 PolarHBondContact O-N 3.29Å; L717-E720 PolarHBondContact O-N 3.27Å; Q718-E720 VanDerWaalsContact C-N 3.33Å; E720-K722 VanDerWaalsContact C-N 3.3Å; E720-K722 PolarHBondContact O-N 3.07Å; E720-R723 WeakPolarHBondContact O-CB 3.5Å; E720-R723 PolarHBondContact O-N 2.21Å; E720-R724 WeakPolarHBondContact O-CG 3.31Å; E720-R724 PolarHBondContact O-N 3.09Å; E720-R724 IonicContact OE1-CZ 3.54Å; E720-R724 VanDerWaalsContact OE1-CZ 3.27Å; E720-R724 IonicContact OE1-NE 2.69Å; E720-R724 PolarHBondContact OE1-NE 3.17Å; E720-R724 IonicContact OE1-NH2 3.61Å; E720-R724 PolarHBondContact OE1-NH2 2.86Å
721	Q	69.8	Low	64.2	Low	114 Å²	114	128.4 Å²	128.4	53%	0.533	57%	0.565	S	S	.	*	H	α-helix	trans	-60.6	-39.2	168.6	-76.9	-173.7	10.7	0	0	111.9	L717 R724 K725	L717-Q721 WeakPolarHBondContact O-CB 3.33Å; L717-Q721 WeakPolarHBondContact O-CG 3.23Å; L717-Q721 PolarHBondContact O-N 3.05Å; Q721-R724 PolarHBondContact O-N 2.7Å; Q721-K725 VanDerWaalsContact O-CB 3.3Å; Q721-K725 WeakPolarHBondContact O-CB 3.29Å; Q721-K725 VanDerWaalsContact O-CG 3.29Å; Q721-K725 WeakPolarHBondContact O-CG 3.44Å; Q721-K725 PolarHBondContact O-N 2.94Å
722	K	67.2	Low	64.8	Low	138 Å²	138	126.5 Å²	126.5	60%	0.6	56%	0.557	S	S	*	*	H	α-helix	trans	-65.3	-39.8	173.7	-75.6	173.4	-179.8	-179.9	0	111.4	Q718 K719 E720 K726	Q718-K722 WeakPolarHBondContact O-CB 3.16Å; Q718-K722 VanDerWaalsContact O-CG 3.27Å; Q718-K722 WeakPolarHBondContact O-CG 3.39Å; Q718-K722 PolarHBondContact O-N 3.37Å; K719-K722 PolarHBondContact O-N 3.16Å; E720-K722 VanDerWaalsContact C-N 3.3Å; E720-K722 PolarHBondContact O-N 3.07Å; K722-K726 WeakPolarHBondContact O-CG 3.3Å; K722-K726 PolarHBondContact O-N 2.69Å
723	R	68.1	Low	65.4	Low	184 Å²	184	126.3 Å²	126.3	69%	0.694	55%	0.551	S	S	*	*	H	α-helix	trans	-61	-52.8	171	-82	-176.5	163.8	-166.3	-4.9	111.8	K719 E720 K725 K726 L727	K719-R723 PolarHBondContact O-N 2.82Å; E720-R723 WeakPolarHBondContact O-CB 3.5Å; E720-R723 PolarHBondContact O-N 2.21Å; R723-K725 VanDerWaalsContact C-N 3.34Å; R723-K725 PolarHBondContact O-N 3.5Å; R723-K726 WeakPolarHBondContact O-CB 3.13Å; R723-K726 PolarHBondContact O-N 3.13Å; R723-K726 VanDerWaalsContact O-N 3.09Å; R723-L727 PolarHBondContact O-N 2.89Å
724	R	70.7	Confident	65.5	Low	145 Å²	145	124.3 Å²	124.3	55%	0.547	55%	0.547	S	S	.	.	H	α-helix	trans	-60.6	-38.6	178.4	-68.5	-179.3	-171.4	-156.9	-1.8	112.6	E720 Q721 L727 R728	E720-R724 WeakPolarHBondContact O-CG 3.31Å; E720-R724 PolarHBondContact O-N 3.09Å; E720-R724 IonicContact OE1-CZ 3.54Å; E720-R724 VanDerWaalsContact OE1-CZ 3.27Å; E720-R724 IonicContact OE1-NE 2.69Å; E720-R724 PolarHBondContact OE1-NE 3.17Å; E720-R724 IonicContact OE1-NH2 3.61Å; E720-R724 PolarHBondContact OE1-NH2 2.86Å; Q721-R724 PolarHBondContact O-N 2.7Å; R724-L727 PolarHBondContact O-N 2.88Å; R724-R728 WeakPolarHBondContact O-CB 3.33Å; R724-R728 VanDerWaalsContact O-CG 3.32Å; R724-R728 WeakPolarHBondContact O-CG 3.5Å; R724-R728 PolarHBondContact O-N 3.29Å
725	K	67.7	Low	65.5	Low	139 Å²	139	128.9 Å²	128.9	60%	0.604	56%	0.563	S	S	*	*	H	α-helix	trans	-64.5	-41.3	172.5	-77	176.5	177.6	-179.7	0	112.1	Q721 R723 K729	Q721-K725 VanDerWaalsContact O-CB 3.3Å; Q721-K725 WeakPolarHBondContact O-CB 3.29Å; Q721-K725 VanDerWaalsContact O-CG 3.29Å; Q721-K725 WeakPolarHBondContact O-CG 3.44Å; Q721-K725 PolarHBondContact O-N 2.94Å; R723-K725 VanDerWaalsContact C-N 3.34Å; R723-K725 PolarHBondContact O-N 3.5Å; K725-K729 WeakPolarHBondContact O-CG 3.48Å; K725-K729 PolarHBondContact O-N 2.87Å; K725-K729 VanDerWaalsContact O-N 3.15Å
726	K	68.4	Low	65.5	Low	166 Å²	166	128.1 Å²	128.1	72%	0.722	56%	0.563	S	S	*	*	H	α-helix	trans	-63.9	-48.2	173.1	-77	-177.4	175	-169.5	0	111.8	K722 R723 K729 F730	K722-K726 WeakPolarHBondContact O-CG 3.3Å; K722-K726 PolarHBondContact O-N 2.69Å; R723-K726 WeakPolarHBondContact O-CB 3.13Å; R723-K726 PolarHBondContact O-N 3.13Å; R723-K726 VanDerWaalsContact O-N 3.09Å; K726-K729 PolarHBondContact O-N 3.34Å; K726-F730 WeakPolarHBondContact O-CB 3.03Å; K726-F730 PolarHBondContact O-N 2.04Å
727	L	66.9	Low	64.7	Low	95 Å²	95	127.2 Å²	127.2	50%	0.497	57%	0.57	S	S	.	*	H	α-helix	trans	-62.6	-44.1	-179.7	-177.9	60.4	0	0	0	111.9	R723 R724 K729 F730 L731	R723-L727 PolarHBondContact O-N 2.89Å; R724-L727 PolarHBondContact O-N 2.88Å; L727-K729 VanDerWaalsContact C-N 3.34Å; L727-K729 PolarHBondContact O-N 3.05Å; L727-F730 PolarHBondContact O-N 2.85Å; L727-F730 VanDerWaalsContact O-N 3.15Å; L727-L731 HydrophobicContact CD1-CD1 4.14Å; L727-L731 HydrophobicContact CD1-CG 4.09Å; L727-L731 HydrophobicContact CG-CD1 3.96Å; L727-L731 HydrophobicContact CG-CG 4.35Å; L727-L731 WeakPolarHBondContact O-CB 3.4Å; L727-L731 WeakPolarHBondContact O-CG 3.08Å; L727-L731 PolarHBondContact O-N 2.58Å
728	R	70.3	Confident	64.3	Low	193 Å²	193	125.5 Å²	125.5	73%	0.728	56%	0.561	S	S	*	*	H	α-helix	trans	-61.4	-38.9	174	-73.6	177.4	-179.5	-174.5	-0.8	112.6	R724 K732	R724-R728 WeakPolarHBondContact O-CB 3.33Å; R724-R728 VanDerWaalsContact O-CG 3.32Å; R724-R728 WeakPolarHBondContact O-CG 3.5Å; R724-R728 PolarHBondContact O-N 3.29Å; R728-K732 WeakPolarHBondContact O-CB 3.25Å; R728-K732 PolarHBondContact O-N 3.05Å
729	K	64.1	Low	64.3	Low	158 Å²	158	126.8 Å²	126.8	69%	0.687	58%	0.577	S	S	*	*	H	α-helix	trans	-67.2	-35.6	173.1	-76.1	-171.3	175.7	-166.2	0	112.5	K725 K726 L727 R733	K725-K729 WeakPolarHBondContact O-CG 3.48Å; K725-K729 PolarHBondContact O-N 2.87Å; K725-K729 VanDerWaalsContact O-N 3.15Å; K726-K729 PolarHBondContact O-N 3.34Å; L727-K729 VanDerWaalsContact C-N 3.34Å; L727-K729 PolarHBondContact O-N 3.05Å; K729-R733 WeakPolarHBondContact O-CG 3.44Å; K729-R733 PolarHBondContact O-N 3.46Å
730	F	63.4	Low	64.5	Low	119 Å²	119	120.8 Å²	120.8	52%	0.522	55%	0.552	S	S	.	*	H	α-helix	trans	-71.2	-48	177.6	-178.6	-109.5	0	0	0	112.2	K726 L727 K732 R733 L734	K726-F730 WeakPolarHBondContact O-CB 3.03Å; K726-F730 PolarHBondContact O-N 2.04Å; L727-F730 PolarHBondContact O-N 2.85Å; L727-F730 VanDerWaalsContact O-N 3.15Å; F730-K732 VanDerWaalsContact C-N 3.32Å; F730-K732 PolarHBondContact O-N 2.96Å; F730-R733 WeakPolarHBondContact O-CB 3.37Å; F730-R733 PolarHBondContact O-N 3.36Å; F730-R733 VanDerWaalsContact O-N 3.12Å; F730-L734 HydrophobicContact CD1-CD1 4.03Å; F730-L734 HydrophobicContact CE1-CD1 3.57Å; F730-L734 HydrophobicContact CE1-CG 4.35Å; F730-L734 HydrophobicContact CZ-CD1 3.92Å; F730-L734 HydrophobicContact CZ-CD2 4.48Å; F730-L734 HydrophobicContact CZ-CG 4.32Å; F730-L734 PolarHBondContact O-N 3.01Å
731	L	66.2	Low	64.1	Low	95 Å²	95	122.3 Å²	122.3	50%	0.497	57%	0.567	S	S	.	*	H	α-helix	trans	-59.9	-40.8	174.8	-69.2	170.9	0	0	0	111.8	L727 R733 L734 Q735	L727-L731 HydrophobicContact CD1-CD1 4.14Å; L727-L731 HydrophobicContact CD1-CG 4.09Å; L727-L731 HydrophobicContact CG-CD1 3.96Å; L727-L731 HydrophobicContact CG-CG 4.35Å; L727-L731 WeakPolarHBondContact O-CB 3.4Å; L727-L731 WeakPolarHBondContact O-CG 3.08Å; L727-L731 PolarHBondContact O-N 2.58Å; L731-R733 VanDerWaalsContact C-N 3.33Å; L731-R733 PolarHBondContact O-N 3.37Å; L731-L734 PolarHBondContact O-N 3.25Å; L731-Q735 WeakPolarHBondContact O-CB 3.23Å; L731-Q735 PolarHBondContact O-N 2.75Å
732	K	63.2	Low	64	Low	132 Å²	132	121.6 Å²	121.6	57%	0.574	57%	0.565	S	S	*	*	H	α-helix	trans	-65.7	-32.7	175.4	-169.4	170	-176.6	-179.8	0	113	R728 F730 N736	R728-K732 WeakPolarHBondContact O-CB 3.25Å; R728-K732 PolarHBondContact O-N 3.05Å; F730-K732 VanDerWaalsContact C-N 3.32Å; F730-K732 PolarHBondContact O-N 2.96Å; K732-N736 VanDerWaalsContact O-CB 3.27Å; K732-N736 WeakPolarHBondContact O-CB 3.21Å; K732-N736 VanDerWaalsContact O-CG 3.28Å; K732-N736 PolarHBondContact O-N 2.8Å; K732-N736 PolarHBondContact O-OD1 3.05Å
733	R	60.6	Low	63.9	Low	113 Å²	113	120.7 Å²	120.7	43%	0.426	57%	0.574	S	S	.	*	H	α-helix	trans	-67.1	-44	173.2	-77.4	169.3	171.3	-167.2	-8.8	112.3	K729 F730 L731 Q735 N736 N737 D738	K729-R733 WeakPolarHBondContact O-CG 3.44Å; K729-R733 PolarHBondContact O-N 3.46Å; F730-R733 WeakPolarHBondContact O-CB 3.37Å; F730-R733 PolarHBondContact O-N 3.36Å; F730-R733 VanDerWaalsContact O-N 3.12Å; L731-R733 VanDerWaalsContact C-N 3.33Å; L731-R733 PolarHBondContact O-N 3.37Å; R733-Q735 VanDerWaalsContact C-N 3.34Å; R733-N736 CarbonylContact O-C 3.5Å; R733-N736 PolarHBondContact O-N 3.42Å; R733-N737 PolarHBondContact O-N 3.49Å; R733-N737 VanDerWaalsContact O-N 3.13Å; R733-D738 HydrophobicContact CB-CB 3.89Å; R733-D738 HydrophobicContact CG-CB 3.92Å; R733-D738 PolarHBondContact O-N 3.3Å
734	L	58.8	Low	63.9	Low	103 Å²	103	115 Å²	115	54%	0.539	57%	0.571	S	S	.	*	H	α-helix	trans	-60.8	-44.1	174.3	-69.2	173.8	0	0	0	111.2	F730 L731 N736 N737	F730-L734 HydrophobicContact CD1-CD1 4.03Å; F730-L734 HydrophobicContact CE1-CD1 3.57Å; F730-L734 HydrophobicContact CE1-CG 4.35Å; F730-L734 HydrophobicContact CZ-CD1 3.92Å; F730-L734 HydrophobicContact CZ-CD2 4.48Å; F730-L734 HydrophobicContact CZ-CG 4.32Å; F730-L734 PolarHBondContact O-N 3.01Å; L731-L734 PolarHBondContact O-N 3.25Å; L734-N736 PolarHBondContact O-N 3.17Å; L734-N737 PolarHBondContact O-N 2.82Å
735	Q	53.8	Low	64.2	Low	166 Å²	166	109.4 Å²	109.4	78%	0.776	55%	0.552	S	S	*	*	H	α-helix	trans	-64.7	-23.9	176.4	-170	174	14.8	0	0	113.4	L731 R733	L731-Q735 WeakPolarHBondContact O-CB 3.23Å; L731-Q735 PolarHBondContact O-N 2.75Å; R733-Q735 VanDerWaalsContact C-N 3.34Å
736	N	56.8	Low	64.8	Low	93 Å²	93	104.4 Å²	104.4	50%	0.497	53%	0.534	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97	-1.7	179.9	-81.5	29.4	0	0	0	114.1	K732 R733 L734 D738	K732-N736 VanDerWaalsContact O-CB 3.27Å; K732-N736 WeakPolarHBondContact O-CB 3.21Å; K732-N736 VanDerWaalsContact O-CG 3.28Å; K732-N736 PolarHBondContact O-N 2.8Å; K732-N736 PolarHBondContact O-OD1 3.05Å; R733-N736 CarbonylContact O-C 3.5Å; R733-N736 PolarHBondContact O-N 3.42Å; L734-N736 PolarHBondContact O-N 3.17Å; N736-D738 PolarHBondContact O-N 3.49Å
737	N	54.8	Low	65.4	Low	144 Å²	144	97.1 Å²	97.1	77%	0.77	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.4	34.8	-167.1	-85.9	-17.6	0	0	0	113.9	R733 L734 T739	R733-N737 PolarHBondContact O-N 3.49Å; R733-N737 VanDerWaalsContact O-N 3.13Å; L734-N737 PolarHBondContact O-N 2.82Å; N737-T739 PolarHBondContact O-N 2.82Å
738	D	55.8	Low	66.1	Low	48 Å²	48	98.2 Å²	98.2	26%	0.257	51%	0.505	S	S	.	.			trans	-65.5	90.4	177.3	-93.2	-53.5	0	0	0	111.3	R733 N736 C740 T749	R733-D738 HydrophobicContact CB-CB 3.89Å; R733-D738 HydrophobicContact CG-CB 3.92Å; R733-D738 PolarHBondContact O-N 3.3Å; N736-D738 PolarHBondContact O-N 3.49Å; D738-C740 PolarHBondContact O-N 3.09Å; D738-T749 PolarHBondContact OD1-OG1 3.32Å
739	T	61.1	Low	66.6	Low	139 Å²	139	92 Å²	92	85%	0.853	49%	0.488	S	S	*	.			trans	-71.9	-6.3	170.9	55.2	0	0	0	0	113.1	N737 S741	N737-T739 PolarHBondContact O-N 2.82Å; T739-S741 VanDerWaalsContact C-N 3.28Å; T739-S741 PolarHBondContact O-N 3.38Å
740	C	72.3	Confident	67.5	Low	8 Å²	8	85 Å²	85	5%	0.054	46%	0.458	C	S	.	.			trans	-76.4	68.2	-176.5	-171.4	0	0	0	0	113.4	D738 C747 F748 T749 C767	D738-C740 PolarHBondContact O-N 3.09Å; C740-C747 VanDerWaalsContact SG-CB 3.58Å; C740-F748 PolarHBondContact SG-O 2.71Å; C740-F748 VanDerWaalsContact SG-O 3.41Å; C740-T749 VanDerWaalsContact CB-OG1 3.31Å; C740-T749 WeakPolarHBondContact CB-OG1 3.41Å; C740-C767 WeakPolarHBondContact CA-SG 3.43Å; C740-C767 HydrophobicContact CB-CB 3.63Å; C740-C767 WeakPolarHBondContact CB-SG 3.33Å; C740-C767 WeakPolarHBondContact SG-CA 3.25Å; C740-C767 WeakPolarHBondContact SG-CB 3.4Å; C740-C767 CovalentContact SG-SG 2.03Å; C740-C767 PolarHBondContact SG-SG 3.13Å
741	S	65.5	Low	68.4	Low	76 Å²	76	82.4 Å²	82.4	53%	0.531	45%	0.449	S	S	.	.			trans	-149.2	102.9	170.4	65.3	0	0	0	0	113.4	T739	T739-S741 VanDerWaalsContact C-N 3.28Å; T739-S741 PolarHBondContact O-N 3.38Å
742	M	67.8	Low	69.1	Low	99 Å²	99	81 Å²	81	49%	0.488	44%	0.443	S	S	.	.			trans	-83.4	139.3	164.3	-68.5	-64.9	-76.3	0	0	110.4	G744 L745 C747	M742-G744 PolarHBondContact O-N 2.91Å; M742-L745 HydrophobicContact CB-CB 4.19Å; M742-L745 HydrophobicContact CB-CD1 3.82Å; M742-L745 HydrophobicContact CB-CG 4.47Å; M742-L745 HydrophobicContact CG-CD1 4.47Å; M742-L745 PolarHBondContact O-N 2.93Å; M742-C747 PolarHBondContact N-SG 3.28Å
743	P	65.8	Low	69.8	Low	120 Å²	120	82 Å²	82	78%	0.779	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	134.1	177.3	-26.9	35.6	0	0	0	112.8	L745	P743-L745 PolarHBondContact O-N 2.71Å
744	G	68.6	Low	70.7	Confident	63 Å²	63	78.8 Å²	78.8	65%	0.649	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.8	-25	178.2	0	0	0	0	0	116.2	M742 A772	M742-G744 PolarHBondContact O-N 2.91Å; G744-A772 WeakPolarHBondContact O-CB 3.47Å
745	L	77.6	Confident	71.8	Confident	28 Å²	28	74 Å²	74	15%	0.147	41%	0.413	C	S	.	.	S	Bend	trans	-85.1	149.9	179.9	-68.2	167.5	0	0	0	112.4	W267 I268 M742 P743 C769 S771 A772	W267-L745 HydrophobicContact CH2-CD2 3.74Å; W267-L745 HydrophobicContact CH2-CG 4.17Å; W267-L745 HydrophobicContact CZ3-CD2 3.76Å; W267-L745 HydrophobicContact CZ3-CG 4.01Å; I268-L745 HydrophobicContact CB-CD2 4.45Å; I268-L745 HydrophobicContact CD1-CD2 4.19Å; I268-L745 HydrophobicContact CG1-CD2 3.98Å; I268-L745 HydrophobicContact CG2-CD2 3.96Å; M742-L745 HydrophobicContact CB-CB 4.19Å; M742-L745 HydrophobicContact CB-CD1 3.82Å; M742-L745 HydrophobicContact CB-CG 4.47Å; M742-L745 HydrophobicContact CG-CD1 4.47Å; M742-L745 PolarHBondContact O-N 2.93Å; P743-L745 PolarHBondContact O-N 2.71Å; L745-C769 HydrophobicContact CB-CB 4.23Å; L745-C769 HydrophobicContact CD1-CB 4.07Å; L745-S771 CarbonylContact C-O 3.39Å; L745-S771 WeakPolarHBondContact CA-O 3.43Å; L745-S771 WeakPolarHBondContact CD2-O 3.44Å; L745-A772 HydrophobicContact CD2-CB 4.33Å
746	T	79.4	Confident	72.9	Confident	35 Å²	35	70.1 Å²	70.1	22%	0.215	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	104.3	166.3	54.3	0	0	0	0	108.7	S771	T746-S771 PolarHBondContact N-O 3.1Å; T746-S771 VanDerWaalsContact OG1-C 3.22Å; T746-S771 WeakPolarHBondContact OG1-CB 3.42Å; T746-S771 PolarHBondContact OG1-O 3.03Å; T746-S771 VanDerWaalsContact OG1-O 3.04Å
747	C	81.4	Confident	73.9	Confident	13 Å²	13	67.4 Å²	67.4	9%	0.088	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	150.6	178.4	-48.8	0	0	0	0	112.2	C740 M742 A768 C769	C740-C747 VanDerWaalsContact SG-CB 3.58Å; M742-C747 PolarHBondContact N-SG 3.28Å; C747-A768 CarbonylContact C-O 3.59Å; C747-A768 VanDerWaalsContact CA-O 3.25Å; C747-A768 WeakPolarHBondContact CA-O 3.44Å; C747-C769 HydrophobicContact CB-CB 4.02Å; C747-C769 WeakPolarHBondContact CB-SG 3.36Å; C747-C769 WeakPolarHBondContact SG-CB 3.31Å; C747-C769 CovalentContact SG-SG 2.04Å; C747-C769 PolarHBondContact SG-SG 3.26Å
748	F	80.8	Confident	74.8	Confident	118 Å²	118	63.2 Å²	63.2	52%	0.518	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	127.6	177.1	-56.8	-85.6	0	0	0	109.7	C740 A768	C740-F748 PolarHBondContact SG-O 2.71Å; C740-F748 VanDerWaalsContact SG-O 3.41Å; F748-A768 PolarHBondContact N-O 2.85Å; F748-A768 PolarHBondContact O-N 3.11Å
749	T	81.7	Confident	75.9	Confident	62 Å²	62	63.7 Å²	63.7	38%	0.38	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	124.2	166.2	-43.4	0	0	0	0	107.6	D738 C740	D738-T749 PolarHBondContact OD1-OG1 3.32Å; C740-T749 VanDerWaalsContact CB-OG1 3.31Å; C740-T749 WeakPolarHBondContact CB-OG1 3.41Å
750	H	82.8	Confident	77	Confident	11 Å²	11	62.5 Å²	62.5	5%	0.051	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	135.9	164.4	-70.9	-72.3	0	0	0	108.1	H754 P765 F766	H750-H754 AromaticContact CE1-CE1 3.74Å; H750-H754 AromaticContact CE1-ND1 3.6Å; H750-H754 AromaticContact ND1-CD2 3.94Å; H750-H754 AromaticContact ND1-CE1 3.95Å; H750-H754 AromaticContact ND1-CG 3.45Å; H750-H754 AromaticContact ND1-ND1 3.05Å; H750-H754 PolarHBondContact ND1-ND1 3.38Å; H750-P765 CarbonylContact O-C 3.5Å; H750-P765 WeakPolarHBondContact O-CA 3.25Å; H750-P765 WeakPolarHBondContact O-CB 3.27Å; H750-F766 HydrophobicContact CB-CD1 4.07Å; H750-F766 HydrophobicContact CB-CE1 3.59Å; H750-F766 HydrophobicContact CB-CE2 4.21Å; H750-F766 HydrophobicContact CB-CZ 3.65Å; H750-F766 AromaticContact CD2-CE2 3.81Å; H750-F766 AromaticContact CD2-CZ 3.78Å; H750-F766 AromaticContact CG-CZ 3.82Å; H750-F766 PolarHBondContact N-O 3.25Å; H750-F766 PolarHBondContact O-N 2.93Å
751	D	81.9	Confident	77.7	Confident	65 Å²	65	62.2 Å²	62.2	35%	0.348	35%	0.354	S	S	.	.			trans	-128.8	-179.6	-179.9	77.9	-32.6	0	0	0	110.8	H753 H754 P765	D751-H753 PolarHBondContact O-N 3.12Å; D751-H753 VanDerWaalsContact O-N 3.08Å; D751-H753 PolarHBondContact OD1-N 3.11Å; D751-H753 IonicContact OD2-CE1 3.54Å; D751-H753 IonicContact OD2-CG 2.75Å; D751-H753 IonicContact OD2-ND1 3.53Å; D751-H753 PolarHBondContact OD2-ND1 2.96Å; D751-H754 WeakPolarHBondContact O-CB 3.45Å; D751-H754 PolarHBondContact O-N 2.78Å; D751-H754 VanDerWaalsContact O-N 3.13Å; D751-H754 PolarHBondContact OD1-N 2.84Å; D751-P765 HydrophobicContact CB-CB 4.4Å
752	N	81.3	Confident	78.6	Confident	66 Å²	66	64 Å²	64	35%	0.353	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-14.9	-177.4	-66.4	10.2	0	0	0	113.3	W761 G764	N752-W761 WeakPolarHBondContact CA-O 3.39Å; N752-W761 WeakPolarHBondContact CB-O 3.32Å; N752-W761 VanDerWaalsContact CG-O 3.26Å; N752-G764 WeakPolarHBondContact OD1-CA 3.5Å; N752-G764 PolarHBondContact OD1-N 3.07Å
753	H	77.7	Confident	79.3	Confident	152 Å²	152	62.8 Å²	62.8	70%	0.704	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.9	13.6	178.7	-45.9	98.8	0	0	0	113.6	D751 W755	D751-H753 PolarHBondContact O-N 3.12Å; D751-H753 VanDerWaalsContact O-N 3.08Å; D751-H753 PolarHBondContact OD1-N 3.11Å; D751-H753 IonicContact OD2-CE1 3.54Å; D751-H753 IonicContact OD2-CG 2.75Å; D751-H753 IonicContact OD2-ND1 3.53Å; D751-H753 PolarHBondContact OD2-ND1 2.96Å; H753-W755 PolarHBondContact O-N 2.95Å; H753-W755 VanDerWaalsContact O-N 3.17Å
754	H	78.9	Confident	80.1	Confident	46 Å²	46	58 Å²	58	21%	0.213	33%	0.328	C	S	.	.	S	Bend	trans	-59.8	-26.2	-178.2	-177.5	60.8	0	0	0	113.6	E236 F282 K336 H750 D751	E236-H754 IonicContact OE1-NE2 3.61Å; E236-H754 PolarHBondContact OE1-NE2 2.83Å; E236-H754 IonicContact OE2-NE2 3.79Å; E236-H754 PolarHBondContact OE2-NE2 3.15Å; F282-H754 AromaticContact CE2-CD2 3.94Å; K336-H754 PolarHBondContact NZ-NE2 3.1Å; H750-H754 AromaticContact CE1-CE1 3.74Å; H750-H754 AromaticContact CE1-ND1 3.6Å; H750-H754 AromaticContact ND1-CD2 3.94Å; H750-H754 AromaticContact ND1-CE1 3.95Å; H750-H754 AromaticContact ND1-CG 3.45Å; H750-H754 AromaticContact ND1-ND1 3.05Å; H750-H754 PolarHBondContact ND1-ND1 3.38Å; D751-H754 WeakPolarHBondContact O-CB 3.45Å; D751-H754 PolarHBondContact O-N 2.78Å; D751-H754 VanDerWaalsContact O-N 3.13Å; D751-H754 PolarHBondContact OD1-N 2.84Å
755	W	82.6	Confident	80.8	Confident	3 Å²	3	59.6 Å²	59.6	1%	0.011	33%	0.327	C	S	.	.			trans	-117.6	145	172.9	-60.1	-55.1	0	0	0	111.4	E236 F282 M285 H753 W761	E236-W755 PolarHBondContact OE2-NE1 3.31Å; F282-W755 HydrophobicContact CD2-CH2 4.03Å; F282-W755 HydrophobicContact CD2-CZ2 4.33Å; F282-W755 HydrophobicContact CE2-CH2 4.02Å; F282-W755 AromaticContact CE2-CZ2 3.91Å; F282-W755 HydrophobicContact CE2-CZ2 3.91Å; M285-W755 HydrophobicContact CB-CH2 4.11Å; M285-W755 HydrophobicContact CE-CE3 3.99Å; M285-W755 HydrophobicContact CE-CH2 4.17Å; M285-W755 HydrophobicContact CE-CZ3 3.43Å; M285-W755 VanDerWaalsContact CE-CZ3 3.43Å; M285-W755 HydrophobicContact CG-CH2 3.64Å; M285-W755 HydrophobicContact CG-CZ2 4.46Å; M285-W755 HydrophobicContact CG-CZ3 3.92Å; M285-W755 HydrophobicContact SD-CH2 3.66Å; M285-W755 HydrophobicContact SD-CZ3 3.42Å; M285-W755 WeakPolarHBondContact SD-CZ3 3.4Å; H753-W755 PolarHBondContact O-N 2.95Å; H753-W755 VanDerWaalsContact O-N 3.17Å; W755-W761 HydrophobicContact CE3-CB 3.98Å; W755-W761 AromaticContact CH2-CE3 3.96Å; W755-W761 HydrophobicContact CH2-CE3 3.96Å; W755-W761 HydrophobicContact CZ3-CB 3.77Å; W755-W761 HydrophobicContact CZ3-CD2 4.41Å; W755-W761 AromaticContact CZ3-CE3 3.83Å; W755-W761 HydrophobicContact CZ3-CE3 3.83Å; W755-W761 HydrophobicContact CZ3-CG 4.45Å
756	Q	76.7	Confident	81.3	Confident	84 Å²	84	59 Å²	59	39%	0.393	32%	0.323	S	S	.	.	S	Bend	trans	-94.6	-21.8	179.4	-68.2	165	96.2	0	0	112.4	N178 D237	N178-Q756 PolarHBondContact ND2-OE1 3.34Å; D237-Q756 PolarHBondContact OD1-N 3.05Å; D237-Q756 PolarHBondContact OD2-NE2 3.31Å
757	T	77.8	Confident	81.6	Confident	35 Å²	35	59.5 Å²	59.5	22%	0.215	33%	0.328	C	S	.	.	S	Bend	trans	-104.6	147.2	172.4	63.4	0	0	0	0	112	Y177 D237 R289	Y177-T757 HydrophobicContact CE2-CG2 3.99Å; D237-T757 HydrophobicContact CB-CG2 4.22Å; D237-T757 PolarHBondContact OD1-N 2.98Å; D237-T757 VanDerWaalsContact OD1-N 3.13Å; D237-T757 PolarHBondContact OD1-OG1 2.97Å; R289-T757 PolarHBondContact NH1-O 3.08Å; R289-T757 PolarHBondContact NH2-O 3.4Å; R289-T757 PolarHBondContact NH2-OG1 3.43Å
758	A	73.4	Confident	81.7	Confident	57 Å²	57	59 Å²	59	47%	0.471	32%	0.324	S	S	.	.	S	Bend	trans	-64.4	152.2	172.9	0	0	0	0	0	111.7	F760	A758-F760 HydrophobicContact CB-CD2 4.28Å; A758-F760 HydrophobicContact CB-CE2 4Å; A758-F760 HydrophobicContact CB-CZ 4.32Å
759	P	78.2	Confident	81.8	Confident	58 Å²	58	54.7 Å²	54.7	38%	0.377	31%	0.308	S	S	.	.	S	Bend	cis	-70.5	133.4	-4.1	28.1	-34.7	0	0	0	113	M285 R289	M285-P759 HydrophobicContact CE-CB 3.82Å; M285-P759 HydrophobicContact CE-CG 3.68Å; M285-P759 WeakPolarHBondContact CE-O 3.34Å; R289-P759 PolarHBondContact NH1-O 3.37Å
760	F	84.3	Confident	81.6	Confident	113 Å²	113	52.1 Å²	52.1	50%	0.496	29%	0.292	S	S	.	.	P	Polyproline II helix	trans	-76.6	165.9	179	-59.4	-67.7	0	0	0	112.2	A758	A758-F760 HydrophobicContact CB-CD2 4.28Å; A758-F760 HydrophobicContact CB-CE2 4Å; A758-F760 HydrophobicContact CB-CZ 4.32Å
761	W	86.9	Confident	81.4	Confident	3 Å²	3	52.4 Å²	52.4	1%	0.011	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-83.3	121.4	174.6	-179.2	-107.4	0	0	0	110.3	V278 F282 M285 N752 W755 M763 G764 F766	V278-W761 HydrophobicContact CG2-CH2 4.07Å; V278-W761 HydrophobicContact CG2-CZ2 3.58Å; V278-W761 WeakPolarHBondContact O-CH2 3.35Å; F282-W761 HydrophobicContact CB-CH2 3.5Å; F282-W761 VanDerWaalsContact CB-CH2 3.5Å; F282-W761 HydrophobicContact CB-CZ2 4.19Å; F282-W761 HydrophobicContact CB-CZ3 3.76Å; F282-W761 HydrophobicContact CD2-CD2 4.25Å; F282-W761 AromaticContact CD2-CE3 3.97Å; F282-W761 HydrophobicContact CD2-CE3 3.97Å; F282-W761 HydrophobicContact CD2-CH2 4.1Å; F282-W761 HydrophobicContact CD2-CZ2 4.33Å; F282-W761 AromaticContact CD2-CZ3 3.89Å; F282-W761 HydrophobicContact CD2-CZ3 3.89Å; F282-W761 HydrophobicContact CG-CH2 4.28Å; F282-W761 HydrophobicContact CG-CZ3 4.32Å; M285-W761 HydrophobicContact SD-CE3 4.1Å; M285-W761 HydrophobicContact SD-CZ3 4.35Å; N752-W761 WeakPolarHBondContact CA-O 3.39Å; N752-W761 WeakPolarHBondContact CB-O 3.32Å; N752-W761 VanDerWaalsContact CG-O 3.26Å; W755-W761 HydrophobicContact CE3-CB 3.98Å; W755-W761 AromaticContact CH2-CE3 3.96Å; W755-W761 HydrophobicContact CH2-CE3 3.96Å; W755-W761 HydrophobicContact CZ3-CB 3.77Å; W755-W761 HydrophobicContact CZ3-CD2 4.41Å; W755-W761 AromaticContact CZ3-CE3 3.83Å; W755-W761 HydrophobicContact CZ3-CE3 3.83Å; W755-W761 HydrophobicContact CZ3-CG 4.45Å; W761-M763 HydrophobicContact CE3-CE 4.16Å; W761-M763 HydrophobicContact CH2-CB 3.94Å; W761-M763 HydrophobicContact CH2-CE 3.44Å; W761-M763 VanDerWaalsContact CH2-CE 3.44Å; W761-M763 HydrophobicContact CH2-CG 4.46Å; W761-M763 HydrophobicContact CH2-SD 3.8Å; W761-M763 HydrophobicContact CZ2-CB 3.6Å; W761-M763 HydrophobicContact CZ2-CE 4.33Å; W761-M763 HydrophobicContact CZ2-SD 4.39Å; W761-M763 HydrophobicContact CZ3-CE 3.34Å; W761-M763 HydrophobicContact CZ3-SD 4.34Å; W761-G764 PolarHBondContact NE1-O 3.05Å; W761-F766 AromaticContact CE2-CE1 3.96Å; W761-F766 HydrophobicContact CH2-CE1 4.48Å; W761-F766 AromaticContact CZ2-CD1 3.9Å; W761-F766 HydrophobicContact CZ2-CD1 3.9Å; W761-F766 AromaticContact CZ2-CE1 3.71Å; W761-F766 HydrophobicContact CZ2-CE1 3.71Å
762	T	85.3	Confident	81.2	Confident	112 Å²	112	49.3 Å²	49.3	69%	0.687	28%	0.279	S	S	*	.			trans	-113.7	-17.1	-171.5	52.2	0	0	0	0	114.7	G764	T762-G764 PolarHBondContact O-N 2.96Å; T762-G764 VanDerWaalsContact O-N 3.1Å
763	M	82.3	Confident	80.6	Confident	75 Å²	75	51 Å²	51	37%	0.369	29%	0.288	S	S	.	.	S	Bend	trans	-76.6	10.4	-173.7	-83.9	171.1	-94	0	0	115.4	V278 Q281 W761	V278-M763 HydrophobicContact CG2-CB 4.07Å; Q281-M763 HydrophobicContact CB-CE 3.66Å; Q281-M763 HydrophobicContact CB-SD 3.77Å; Q281-M763 HydrophobicContact CG-CE 4.48Å; Q281-M763 HydrophobicContact CG-SD 4.21Å; Q281-M763 PolarHBondContact OE1-SD 2.9Å; W761-M763 HydrophobicContact CE3-CE 4.16Å; W761-M763 HydrophobicContact CH2-CB 3.94Å; W761-M763 HydrophobicContact CH2-CE 3.44Å; W761-M763 VanDerWaalsContact CH2-CE 3.44Å; W761-M763 HydrophobicContact CH2-CG 4.46Å; W761-M763 HydrophobicContact CH2-SD 3.8Å; W761-M763 HydrophobicContact CZ2-CB 3.6Å; W761-M763 HydrophobicContact CZ2-CE 4.33Å; W761-M763 HydrophobicContact CZ2-SD 4.39Å; W761-M763 HydrophobicContact CZ3-CE 3.34Å; W761-M763 HydrophobicContact CZ3-SD 4.34Å
764	G	81.8	Confident	80.2	Confident	18 Å²	18	50.3 Å²	50.3	19%	0.186	29%	0.29	C	S	.	.			trans	80.2	170.7	-179.5	0	0	0	0	0	113.8	N752 W761 T762	N752-G764 WeakPolarHBondContact OD1-CA 3.5Å; N752-G764 PolarHBondContact OD1-N 3.07Å; W761-G764 PolarHBondContact NE1-O 3.05Å; T762-G764 PolarHBondContact O-N 2.96Å; T762-G764 VanDerWaalsContact O-N 3.1Å
765	P	84.8	Confident	80.5	Confident	98 Å²	98	48.3 Å²	48.3	64%	0.636	28%	0.281	S	S	*	.			trans	-75.9	145.2	-172.3	29.9	-35	0	0	0	113.2	H750 D751	H750-P765 CarbonylContact O-C 3.5Å; H750-P765 WeakPolarHBondContact O-CA 3.25Å; H750-P765 WeakPolarHBondContact O-CB 3.27Å; D751-P765 HydrophobicContact CB-CB 4.4Å
766	F	87.1	Confident	80.9	Confident	16 Å²	16	48.8 Å²	48.8	7%	0.07	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	167.6	173.9	72.8	-88.4	0	0	0	111.8	V278 H279 F282 V335 H750 W761 A768	V278-F766 HydrophobicContact CG2-CD1 4.24Å; H279-F766 AromaticContact CD2-CD2 3.55Å; H279-F766 AromaticContact NE2-CD2 3.76Å; F282-F766 HydrophobicContact CB-CE1 4.12Å; F282-F766 HydrophobicContact CB-CZ 4.03Å; F282-F766 HydrophobicContact CD1-CE1 4.38Å; F282-F766 HydrophobicContact CD1-CE2 4.4Å; F282-F766 AromaticContact CD1-CZ 3.59Å; F282-F766 HydrophobicContact CD1-CZ 3.59Å; F282-F766 AromaticContact CD2-CE1 3.65Å; F282-F766 HydrophobicContact CD2-CE1 3.65Å; F282-F766 AromaticContact CD2-CZ 3.63Å; F282-F766 HydrophobicContact CD2-CZ 3.63Å; F282-F766 AromaticContact CE1-CZ 3.81Å; F282-F766 HydrophobicContact CE1-CZ 3.81Å; F282-F766 HydrophobicContact CE2-CE1 4.1Å; F282-F766 AromaticContact CE2-CZ 3.88Å; F282-F766 HydrophobicContact CE2-CZ 3.88Å; F282-F766 AromaticContact CG-CE1 3.8Å; F282-F766 HydrophobicContact CG-CE1 3.8Å; F282-F766 AromaticContact CG-CZ 3.46Å; F282-F766 HydrophobicContact CG-CZ 3.46Å; F282-F766 VanDerWaalsContact CG-CZ 3.46Å; F282-F766 AromaticContact CZ-CZ 3.96Å; F282-F766 HydrophobicContact CZ-CZ 3.96Å; V335-F766 HydrophobicContact CG1-CE2 3.97Å; V335-F766 HydrophobicContact CG1-CZ 4.44Å; H750-F766 HydrophobicContact CB-CD1 4.07Å; H750-F766 HydrophobicContact CB-CE1 3.59Å; H750-F766 HydrophobicContact CB-CE2 4.21Å; H750-F766 HydrophobicContact CB-CZ 3.65Å; H750-F766 AromaticContact CD2-CE2 3.81Å; H750-F766 AromaticContact CD2-CZ 3.78Å; H750-F766 AromaticContact CG-CZ 3.82Å; H750-F766 PolarHBondContact N-O 3.25Å; H750-F766 PolarHBondContact O-N 2.93Å; W761-F766 AromaticContact CE2-CE1 3.96Å; W761-F766 HydrophobicContact CH2-CE1 4.48Å; W761-F766 AromaticContact CZ2-CD1 3.9Å; W761-F766 HydrophobicContact CZ2-CD1 3.9Å; W761-F766 AromaticContact CZ2-CE1 3.71Å; W761-F766 HydrophobicContact CZ2-CE1 3.71Å; F766-A768 HydrophobicContact CE2-CB 4.3Å
767	C	85.1	Confident	81.7	Confident	45 Å²	45	44.8 Å²	44.8	30%	0.304	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	127.5	-177.3	-176.7	0	0	0	0	111.7	C740	C740-C767 WeakPolarHBondContact CA-SG 3.43Å; C740-C767 HydrophobicContact CB-CB 3.63Å; C740-C767 WeakPolarHBondContact CB-SG 3.33Å; C740-C767 WeakPolarHBondContact SG-CA 3.25Å; C740-C767 WeakPolarHBondContact SG-CB 3.4Å; C740-C767 CovalentContact SG-SG 2.03Å; C740-C767 PolarHBondContact SG-SG 3.13Å
768	A	84.1	Confident	82.5	Confident	1 Å²	1	43.8 Å²	43.8	1%	0.008	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	117.9	172.9	0	0	0	0	0	110.8	V335 C747 F748 F766	V335-A768 HydrophobicContact CB-CB 4.28Å; C747-A768 CarbonylContact C-O 3.59Å; C747-A768 VanDerWaalsContact CA-O 3.25Å; C747-A768 WeakPolarHBondContact CA-O 3.44Å; F748-A768 PolarHBondContact N-O 2.85Å; F748-A768 PolarHBondContact O-N 3.11Å; F766-A768 HydrophobicContact CE2-CB 4.3Å
769	C	83.6	Confident	83.6	Confident	28 Å²	28	41.1 Å²	41.1	19%	0.189	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	95.7	175.7	-60.9	0	0	0	0	109.8	L745 C747	L745-C769 HydrophobicContact CB-CB 4.23Å; L745-C769 HydrophobicContact CD1-CB 4.07Å; C747-C769 HydrophobicContact CB-CB 4.02Å; C747-C769 WeakPolarHBondContact CB-SG 3.36Å; C747-C769 WeakPolarHBondContact SG-CB 3.31Å; C747-C769 CovalentContact SG-SG 2.04Å; C747-C769 PolarHBondContact SG-SG 3.26Å
770	T	77.1	Confident	84.5	Confident	8 Å²	8	38.3 Å²	38.3	5%	0.049	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	8.6	-167.9	53.9	0	0	0	0	115.4	L334 K336 M340	L334-T770 HydrophobicContact CB-CG2 4.03Å; L334-T770 HydrophobicContact CD2-CG2 4.1Å; K336-T770 VanDerWaalsContact O-CB 3.27Å; K336-T770 WeakPolarHBondContact O-CB 3.32Å; K336-T770 VanDerWaalsContact O-CG2 3.27Å; K336-T770 WeakPolarHBondContact O-CG2 3.3Å; K336-T770 PolarHBondContact O-OG1 2.97Å; M340-T770 WeakPolarHBondContact CE-O 3.43Å
771	S	78.6	Confident	85.1	Confident	18 Å²	18	33.1 Å²	33.1	13%	0.126	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	177.5	170.9	-169	0	0	0	0	111.3	S339 R423 L745 T746	S339-S771 WeakPolarHBondContact OG-CB 3.38Å; S339-S771 PolarHBondContact OG-OG 3.33Å; R423-S771 PolarHBondContact NH2-OG 3.02Å; L745-S771 CarbonylContact C-O 3.39Å; L745-S771 WeakPolarHBondContact CA-O 3.43Å; L745-S771 WeakPolarHBondContact CD2-O 3.44Å; T746-S771 PolarHBondContact N-O 3.1Å; T746-S771 VanDerWaalsContact OG1-C 3.22Å; T746-S771 WeakPolarHBondContact OG1-CB 3.42Å; T746-S771 PolarHBondContact OG1-O 3.03Å; T746-S771 VanDerWaalsContact OG1-O 3.04Å
772	A	78.3	Confident	85.6	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	20%	0.195	C	C	.	.			trans	-149.4	141.3	169.4	0	0	0	0	0	110.7	W267 I268 R423 G744 L745 N774 N775	W267-A772 HydrophobicContact CH2-CB 3.53Å; W267-A772 HydrophobicContact CZ2-CB 3.44Å; W267-A772 VanDerWaalsContact CZ2-CB 3.44Å; I268-A772 HydrophobicContact CD1-CB 4.12Å; R423-A772 PolarHBondContact NH2-O 3.43Å; G744-A772 WeakPolarHBondContact O-CB 3.47Å; L745-A772 HydrophobicContact CD2-CB 4.33Å; A772-N774 PolarHBondContact O-N 3.45Å; A772-N775 HydrophobicContact CB-CB 4.14Å; A772-N775 PolarHBondContact O-N 2.88Å
773	N	68.4	Low	86	Confident	100 Å²	100	29.1 Å²	29.1	54%	0.535	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-22.3	178	-63.9	-45.5	0	0	0	113.3
774	N	69.8	Low	86.4	Confident	139 Å²	139	27.8 Å²	27.8	74%	0.743	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.9	-7.7	-179	-67.1	16.9	0	0	0	113.1	A772 T776	A772-N774 PolarHBondContact O-N 3.45Å; N774-T776 PolarHBondContact O-N 2.88Å; N774-T776 PolarHBondContact O-OG1 2.93Å
775	N	84.3	Confident	86.6	Confident	3 Å²	3	35.3 Å²	35.3	2%	0.016	20%	0.199	C	C	.	.			trans	-68.8	97.7	176.8	-174.6	44.6	0	0	0	108.7	W267 I268 R423 A772	W267-N775 HydrophobicContact CZ2-CB 4.44Å; I268-N775 HydrophobicContact CD1-CB 3.94Å; R423-N775 PolarHBondContact NH1-ND2 2.78Å; R423-N775 PolarHBondContact NH1-O 3.39Å; A772-N775 HydrophobicContact CB-CB 4.14Å; A772-N775 PolarHBondContact O-N 2.88Å
776	T	90.3	Very high	86.7	Confident	13 Å²	13	35.9 Å²	35.9	8%	0.08	20%	0.201	C	C	.	.			trans	-114.7	132.9	-177.8	-58.6	0	0	0	0	108.6	R423 G424 K425 N774 W778 F794 A795	R423-T776 CarbonylContact O-C 3.57Å; R423-T776 VanDerWaalsContact O-CA 3.23Å; R423-T776 WeakPolarHBondContact O-CA 3.47Å; R423-T776 WeakPolarHBondContact O-CG2 3.19Å; G424-T776 WeakPolarHBondContact CA-OG1 3.39Å; K425-T776 PolarHBondContact N-OG1 2.6Å; K425-T776 VanDerWaalsContact O-CG2 3.23Å; K425-T776 WeakPolarHBondContact O-CG2 3.06Å; N774-T776 PolarHBondContact O-N 2.88Å; N774-T776 PolarHBondContact O-OG1 2.93Å; T776-W778 HydrophobicContact CG2-CH2 3.59Å; T776-W778 HydrophobicContact CG2-CZ2 3.67Å; T776-W778 HydrophobicContact CG2-CZ3 4.22Å; T776-F794 WeakPolarHBondContact O-CA 3.33Å; T776-A795 HydrophobicContact CG2-CB 4.02Å; T776-A795 PolarHBondContact O-N 2.84Å
777	Y	93.7	Very high	87	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	158.2	178.1	55.2	-105.1	0	0	0	111.6	P93 S339 M340 P341 V421 R423 E793 F794	P93-Y777 WeakPolarHBondContact CG-OH 3.27Å; S339-Y777 VanDerWaalsContact C-OH 3.28Å; S339-Y777 WeakPolarHBondContact O-CE1 3.36Å; S339-Y777 PolarHBondContact O-OH 3.41Å; M340-Y777 VanDerWaalsContact C-OH 3.24Å; M340-Y777 PolarHBondContact O-OH 3.31Å; P341-Y777 HydrophobicContact CB-CD2 4.16Å; P341-Y777 HydrophobicContact CB-CE2 3.81Å; V421-Y777 HydrophobicContact CG1-CE2 4.39Å; R423-Y777 HydrophobicContact CB-CD2 4.31Å; R423-Y777 HydrophobicContact CB-CE1 4.04Å; R423-Y777 HydrophobicContact CB-CE2 3.7Å; R423-Y777 PolarHBondContact N-O 3.31Å; R423-Y777 PolarHBondContact O-N 2.93Å; Y777-E793 VanDerWaalsContact CA-O 3.25Å; Y777-E793 WeakPolarHBondContact CA-O 3.39Å; Y777-F794 HydrophobicContact CD1-CD1 4.09Å; Y777-F794 AromaticContact CD1-CE1 3.64Å; Y777-F794 HydrophobicContact CD1-CE1 3.64Å; Y777-F794 HydrophobicContact CD1-CZ 4.39Å; Y777-F794 HydrophobicContact CG-CD1 4.37Å; Y777-F794 HydrophobicContact CG-CE1 4.09Å
778	W	95.6	Very high	87.5	Confident	15 Å²	15	37.1 Å²	37.1	6%	0.057	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	134.1	167.5	-55.8	-85.4	0	0	0	107.4	L420 V421 T776 E793 A795 L830 R834	L420-W778 HydrophobicContact CD1-CB 4.1Å; V421-W778 CarbonylContact O-C 3.5Å; T776-W778 HydrophobicContact CG2-CH2 3.59Å; T776-W778 HydrophobicContact CG2-CZ2 3.67Å; T776-W778 HydrophobicContact CG2-CZ3 4.22Å; W778-E793 PolarHBondContact N-O 2.84Å; W778-E793 PolarHBondContact O-N 3.5Å; W778-A795 HydrophobicContact CH2-CB 4.24Å; W778-A795 HydrophobicContact CZ3-CB 4.1Å; W778-L830 HydrophobicContact CB-CD1 3.92Å; W778-L830 HydrophobicContact CB-CD2 4.26Å; W778-L830 HydrophobicContact CB-CG 4.27Å; W778-R834 HydrophobicContact CG-CG 4.32Å
779	C	97.3	Very high	88.1	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	138.9	-179.2	-53.2	0	0	0	0	111.8	P341 L420 V421 L790 F791 C792	P341-C779 WeakPolarHBondContact CB-SG 3.49Å; L420-C779 WeakPolarHBondContact CA-O 3.49Å; V421-C779 HydrophobicContact CB-CB 4.28Å; V421-C779 PolarHBondContact N-O 2.97Å; V421-C779 PolarHBondContact O-N 3.36Å; C779-L790 HydrophobicContact CB-CD1 3.75Å; C779-F791 CarbonylContact C-O 3.55Å; C779-F791 WeakPolarHBondContact CA-O 3.28Å; C779-F791 VanDerWaalsContact CB-O 3.28Å; C779-F791 WeakPolarHBondContact CB-O 3.38Å; C779-C792 HydrophobicContact CB-CB 4.03Å; C779-C792 WeakPolarHBondContact CB-SG 3.49Å; C779-C792 VanDerWaalsContact SG-CA 3.58Å; C779-C792 WeakPolarHBondContact SG-CB 3.04Å; C779-C792 CovalentContact SG-SG 2.04Å; C779-C792 PolarHBondContact SG-SG 3.44Å
780	L	96.9	Very high	88.8	Confident	0 Å²	0	36 Å²	36	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	109.1	170.4	176.7	68.3	0	0	0	107.9	F789 F791 M826 Q829 L830 L833	L780-F789 HydrophobicContact CD2-CE2 4.01Å; L780-F789 HydrophobicContact CD2-CZ 4.3Å; L780-F789 HydrophobicContact CG-CE2 4.2Å; L780-F791 HydrophobicContact CB-CB 4.42Å; L780-F791 HydrophobicContact CB-CD1 4.39Å; L780-F791 PolarHBondContact N-O 2.97Å; L780-F791 PolarHBondContact O-N 2.03Å; L780-M826 HydrophobicContact CD2-CB 3.97Å; L780-M826 HydrophobicContact CD2-CG 4.05Å; L780-Q829 HydrophobicContact CD1-CG 3.95Å; L780-Q829 HydrophobicContact CD2-CB 4.14Å; L780-Q829 HydrophobicContact CD2-CG 4.25Å; L780-L830 HydrophobicContact CB-CB 4.46Å; L780-L830 HydrophobicContact CB-CD1 4.23Å; L780-L833 HydrophobicContact CD1-CD1 3.72Å
781	R	96.9	Very high	89.8	Confident	4 Å²	4	35.7 Å²	35.7	2%	0.015	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	126.5	171.3	-174.5	73.4	177	86.3	6.9	108.3	E343 S418 F419 N788 F789 L790	E343-R781 IonicContact OE1-CZ 2.75Å; E343-R781 IonicContact OE1-NE 3.84Å; E343-R781 PolarHBondContact OE1-NE 2.86Å; E343-R781 IonicContact OE1-NH2 2.72Å; E343-R781 PolarHBondContact OE1-NH2 3.41Å; E343-R781 IonicContact OE2-CZ 3.81Å; E343-R781 IonicContact OE2-NE 3.46Å; E343-R781 IonicContact OE2-NH2 3.15Å; E343-R781 PolarHBondContact OE2-NH2 3.05Å; S418-R781 CarbonylContact C-O 3.57Å; S418-R781 VanDerWaalsContact CA-O 3.22Å; S418-R781 WeakPolarHBondContact CA-O 3.45Å; F419-R781 HydrophobicContact CD1-CB 4.04Å; F419-R781 HydrophobicContact CD1-CG 4.35Å; F419-R781 HydrophobicContact CE1-CB 3.54Å; F419-R781 HydrophobicContact CE1-CG 3.45Å; F419-R781 VanDerWaalsContact CE1-CG 3.45Å; F419-R781 HydrophobicContact CE2-CB 4.11Å; F419-R781 HydrophobicContact CE2-CG 4.49Å; F419-R781 HydrophobicContact CZ-CB 3.57Å; F419-R781 HydrophobicContact CZ-CG 3.53Å; F419-R781 PolarHBondContact N-O 3.28Å; F419-R781 PolarHBondContact O-N 2.92Å; R781-N788 PolarHBondContact NH1-OD1 3.11Å; R781-N788 PolarHBondContact NH2-OD1 2.87Å; R781-F789 WeakPolarHBondContact CD-O 3.24Å; R781-F789 PolarHBondContact NH1-O 2.72Å; R781-L790 HydrophobicContact CB-CD1 4.33Å
782	T	95.9	Very high	90.6	Very high	5 Å²	5	34.9 Å²	34.9	3%	0.031	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	131.2	-177.8	-64.2	0	0	0	0	110.6	D417 S418 H787 N788 F789	D417-T782 CarbonylContact O-C 3.46Å; D417-T782 VanDerWaalsContact O-CA 3.3Å; D417-T782 WeakPolarHBondContact O-CA 3.42Å; S418-T782 WeakPolarHBondContact CB-OG1 3.32Å; S418-T782 PolarHBondContact OG-OG1 3.42Å; T782-H787 HydrophobicContact CG2-CB 4.33Å; T782-N788 CarbonylContact O-C 3.37Å; T782-N788 VanDerWaalsContact O-CA 3.31Å; T782-N788 WeakPolarHBondContact O-CA 3.41Å; T782-F789 HydrophobicContact CG2-CD1 4.37Å; T782-F789 HydrophobicContact CG2-CE1 3.82Å; T782-F789 HydrophobicContact CG2-CZ 4.05Å; T782-F789 PolarHBondContact N-O 3.17Å; T782-F789 PolarHBondContact O-N 2.87Å; T782-F789 VanDerWaalsContact OG1-CZ 3.31Å; T782-F789 WeakPolarHBondContact OG1-CZ 3.46Å
783	I	94.5	Very high	91.4	Very high	25 Å²	25	35.9 Å²	35.9	13%	0.128	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	115	174.6	-48.5	176.9	0	0	0	108.6	N87 F89 I366 D417 H787	N87-I783 HydrophobicContact CB-CD1 4.24Å; F89-I783 HydrophobicContact CE2-CD1 3.69Å; F89-I783 HydrophobicContact CZ-CD1 3.64Å; I366-I783 HydrophobicContact CD1-CB 3.94Å; I366-I783 HydrophobicContact CD1-CG1 4.3Å; I366-I783 HydrophobicContact CG1-CB 4.22Å; I366-I783 HydrophobicContact CG1-CD1 4.49Å; D417-I783 PolarHBondContact O-N 3.47Å; I783-H787 CarbonylContact C-O 3.45Å; I783-H787 WeakPolarHBondContact CA-O 3.01Å
784	N	89.9	Confident	92.5	Very high	48 Å²	48	31.4 Å²	31.4	26%	0.257	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	-179.9	170.6	62.8	65.2	0	0	0	110.2	D417 T786 H787	D417-N784 HydrophobicContact CB-CB 4.13Å; N784-T786 PolarHBondContact O-N 3.47Å; N784-T786 PolarHBondContact OD1-N 3.39Å; N784-T786 PolarHBondContact OD1-OG1 2.93Å; N784-H787 PolarHBondContact N-O 3.13Å; N784-H787 PolarHBondContact O-N 3.06Å; N784-H787 PolarHBondContact OD1-N 2.99Å
785	D	86.3	Confident	93.4	Very high	176 Å²	176	27.4 Å²	27.4	94%	0.941	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-15.3	-177.3	-57.5	-36.4	0	0	0	115.6
786	T	88.2	Confident	93.3	Very high	109 Å²	109	31.5 Å²	31.5	67%	0.669	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-123.1	-18.9	-174.8	58.4	0	0	0	0	114.6	N784	N784-T786 PolarHBondContact O-N 3.47Å; N784-T786 PolarHBondContact OD1-N 3.39Å; N784-T786 PolarHBondContact OD1-OG1 2.93Å
787	H	92.3	Very high	93	Very high	45 Å²	45	33.7 Å²	33.7	21%	0.208	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	129.5	-170.7	-69	88.1	0	0	0	111.5	T782 I783 N784 F789 F854	T782-H787 HydrophobicContact CG2-CB 4.33Å; I783-H787 CarbonylContact C-O 3.45Å; I783-H787 WeakPolarHBondContact CA-O 3.01Å; N784-H787 PolarHBondContact N-O 3.13Å; N784-H787 PolarHBondContact O-N 3.06Å; N784-H787 PolarHBondContact OD1-N 2.99Å; H787-F789 HydrophobicContact CB-CD1 4Å; H787-F789 HydrophobicContact CB-CE1 4.15Å; H787-F854 AromaticContact CD2-CE1 3.98Å; H787-F854 AromaticContact CE1-CD1 3.45Å; H787-F854 VanDerWaalsContact CE1-CD1 3.45Å; H787-F854 WeakPolarHBondContact CE1-CD1 3.25Å; H787-F854 AromaticContact NE2-CD1 3.27Å; H787-F854 VanDerWaalsContact NE2-CD1 3.27Å; H787-F854 WeakPolarHBondContact NE2-CD1 3.38Å; H787-F854 AromaticContact NE2-CE1 3.4Å; H787-F854 WeakPolarHBondContact NE2-CE1 3.5Å
788	N	96.3	Very high	92.8	Very high	42 Å²	42	36.1 Å²	36.1	23%	0.225	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	77.6	175	176.6	28.7	0	0	0	109.8	R781 T782 L804	R781-N788 PolarHBondContact NH1-OD1 3.11Å; R781-N788 PolarHBondContact NH2-OD1 2.87Å; T782-N788 CarbonylContact O-C 3.37Å; T782-N788 VanDerWaalsContact O-CA 3.31Å; T782-N788 WeakPolarHBondContact O-CA 3.41Å; N788-L804 PolarHBondContact O-N 3.12Å
789	F	96.8	Very high	92.7	Very high	7 Å²	7	38.3 Å²	38.3	3%	0.031	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	161.9	-173.7	69.1	-106.2	0	0	0	113.9	L780 R781 T782 H787 F791 Y801 F802 M826	L780-F789 HydrophobicContact CD2-CE2 4.01Å; L780-F789 HydrophobicContact CD2-CZ 4.3Å; L780-F789 HydrophobicContact CG-CE2 4.2Å; R781-F789 WeakPolarHBondContact CD-O 3.24Å; R781-F789 PolarHBondContact NH1-O 2.72Å; T782-F789 HydrophobicContact CG2-CD1 4.37Å; T782-F789 HydrophobicContact CG2-CE1 3.82Å; T782-F789 HydrophobicContact CG2-CZ 4.05Å; T782-F789 PolarHBondContact N-O 3.17Å; T782-F789 PolarHBondContact O-N 2.87Å; T782-F789 VanDerWaalsContact OG1-CZ 3.31Å; T782-F789 WeakPolarHBondContact OG1-CZ 3.46Å; H787-F789 HydrophobicContact CB-CD1 4Å; H787-F789 HydrophobicContact CB-CE1 4.15Å; F789-F791 HydrophobicContact CD2-CB 4.29Å; F789-F791 HydrophobicContact CE2-CB 4.28Å; F789-Y801 HydrophobicContact CB-CE2 3.63Å; F789-Y801 HydrophobicContact CD1-CE2 4.34Å; F789-Y801 HydrophobicContact CD2-CD2 4.44Å; F789-Y801 AromaticContact CD2-CE2 3.83Å; F789-Y801 HydrophobicContact CD2-CE2 3.83Å; F789-Y801 AromaticContact CG-CE2 3.71Å; F789-Y801 HydrophobicContact CG-CE2 3.71Å; F789-F802 CarbonylContact C-O 3.41Å; F789-F802 VanDerWaalsContact CA-O 3.23Å; F789-F802 WeakPolarHBondContact CA-O 3.44Å; F789-F802 WeakPolarHBondContact CB-O 3.29Å; F789-M826 HydrophobicContact CD2-SD 4.09Å; F789-M826 HydrophobicContact CE1-SD 4.45Å; F789-M826 HydrophobicContact CE2-CG 4.33Å; F789-M826 HydrophobicContact CE2-SD 3.47Å; F789-M826 WeakPolarHBondContact CE2-SD 3.3Å; F789-M826 HydrophobicContact CZ-CG 4.23Å; F789-M826 HydrophobicContact CZ-SD 3.68Å
790	L	97.6	Very high	92.6	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	118.6	167.4	172.8	62.2	0	0	0	108.1	P341 C779 R781 Y801 F802 L804	P341-L790 WeakPolarHBondContact O-CD2 3.31Å; C779-L790 HydrophobicContact CB-CD1 3.75Å; R781-L790 HydrophobicContact CB-CD1 4.33Å; L790-Y801 WeakPolarHBondContact O-CA 3.47Å; L790-F802 HydrophobicContact CD2-CD2 4.33Å; L790-F802 PolarHBondContact N-O 3.03Å; L790-F802 PolarHBondContact O-N 3.45Å; L790-L804 HydrophobicContact CB-CD1 3.82Å
791	F	97.6	Very high	92.7	Very high	1 Å²	1	39.5 Å²	39.5	0%	0.004	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	132.1	172.5	173.3	-110.9	0	0	0	109.2	C779 L780 F789 E793 M799 E800 Y801 V815 L823 M826 L830	C779-F791 CarbonylContact C-O 3.55Å; C779-F791 WeakPolarHBondContact CA-O 3.28Å; C779-F791 VanDerWaalsContact CB-O 3.28Å; C779-F791 WeakPolarHBondContact CB-O 3.38Å; L780-F791 HydrophobicContact CB-CB 4.42Å; L780-F791 HydrophobicContact CB-CD1 4.39Å; L780-F791 PolarHBondContact N-O 2.97Å; L780-F791 PolarHBondContact O-N 2.03Å; F789-F791 HydrophobicContact CD2-CB 4.29Å; F789-F791 HydrophobicContact CE2-CB 4.28Å; F791-E793 HydrophobicContact CE1-CG 3.85Å; F791-E793 WeakPolarHBondContact CE1-OE1 3.3Å; F791-E793 HydrophobicContact CZ-CG 3.83Å; F791-M799 HydrophobicContact CE2-CB 4.44Å; F791-M799 HydrophobicContact CE2-SD 4.41Å; F791-M799 HydrophobicContact CZ-SD 4.22Å; F791-E800 CarbonylContact C-O 3.52Å; F791-E800 WeakPolarHBondContact CA-O 3.47Å; F791-E800 WeakPolarHBondContact CD2-O 3.48Å; F791-Y801 HydrophobicContact CB-CD2 4.16Å; F791-Y801 HydrophobicContact CD2-CD2 4.38Å; F791-V815 HydrophobicContact CE2-CG2 4.36Å; F791-L823 HydrophobicContact CE2-CD2 3.9Å; F791-M826 HydrophobicContact CB-CE 4.43Å; F791-M826 HydrophobicContact CB-SD 3.91Å; F791-M826 HydrophobicContact CD1-CB 3.7Å; F791-M826 HydrophobicContact CD2-CE 3.93Å; F791-M826 HydrophobicContact CD2-SD 4.47Å; F791-M826 HydrophobicContact CE1-CB 3.91Å; F791-M826 HydrophobicContact CE2-CE 4.37Å; F791-M826 HydrophobicContact CG-CB 4.15Å; F791-M826 HydrophobicContact CG-CE 4.1Å; F791-M826 HydrophobicContact CG-SD 4.07Å; F791-L830 HydrophobicContact CD1-CD2 4.37Å; F791-L830 HydrophobicContact CE1-CD2 4.18Å
792	C	96.8	Very high	92.7	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	134.7	-176.4	-74.5	0	0	0	0	112.4	P341 C779 F794 M799 E800	P341-C792 VanDerWaalsContact CB-SG 3.59Å; C779-C792 HydrophobicContact CB-CB 4.03Å; C779-C792 WeakPolarHBondContact CB-SG 3.49Å; C779-C792 VanDerWaalsContact SG-CA 3.58Å; C779-C792 WeakPolarHBondContact SG-CB 3.04Å; C779-C792 CovalentContact SG-SG 2.04Å; C779-C792 PolarHBondContact SG-SG 3.44Å; C792-F794 HydrophobicContact CB-CE2 3.97Å; C792-M799 CarbonylContact O-C 3.59Å; C792-M799 VanDerWaalsContact O-CA 3.27Å; C792-M799 WeakPolarHBondContact O-CA 3.47Å; C792-E800 HydrophobicContact CB-CB 4.29Å; C792-E800 PolarHBondContact N-O 3.3Å; C792-E800 PolarHBondContact O-N 3.29Å
793	E	94.6	Very high	92.7	Very high	21 Å²	21	41.5 Å²	41.5	10%	0.098	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	120.6	168.9	-68.1	-178.1	-161.1	0	0	110.3	Y777 W778 F791 M799 H827 L830 M831	Y777-E793 VanDerWaalsContact CA-O 3.25Å; Y777-E793 WeakPolarHBondContact CA-O 3.39Å; W778-E793 PolarHBondContact N-O 2.84Å; W778-E793 PolarHBondContact O-N 3.5Å; F791-E793 HydrophobicContact CE1-CG 3.85Å; F791-E793 WeakPolarHBondContact CE1-OE1 3.3Å; F791-E793 HydrophobicContact CZ-CG 3.83Å; E793-M799 HydrophobicContact CG-CG 4.28Å; E793-H827 VanDerWaalsContact CD-ND1 3.3Å; E793-H827 WeakPolarHBondContact OE1-CB 3.49Å; E793-H827 IonicContact OE1-CE1 3.57Å; E793-H827 IonicContact OE1-CG 3.22Å; E793-H827 IonicContact OE1-ND1 3.41Å; E793-H827 PolarHBondContact OE1-ND1 2.83Å; E793-H827 IonicContact OE2-CE1 2.7Å; E793-H827 IonicContact OE2-ND1 2.72Å; E793-H827 PolarHBondContact OE2-ND1 3.02Å; E793-H827 VanDerWaalsContact OE2-ND1 3.15Å; E793-L830 HydrophobicContact CB-CD2 3.97Å; E793-L830 HydrophobicContact CG-CD2 3.78Å; E793-M831 WeakPolarHBondContact OE2-CE 3.39Å
794	F	91.9	Very high	92.7	Very high	7 Å²	7	41 Å²	41	3%	0.031	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	146.4	174.5	-67.7	-99.2	0	0	0	110.1	H266 P341 T776 Y777 C792 T796 G797 F798 E800	H266-F794 HydrophobicContact CB-CD1 3.76Å; H266-F794 HydrophobicContact CB-CD2 4.14Å; H266-F794 HydrophobicContact CB-CE1 3.39Å; H266-F794 HydrophobicContact CB-CE2 3.82Å; H266-F794 HydrophobicContact CB-CG 4.13Å; H266-F794 HydrophobicContact CB-CZ 3.43Å; H266-F794 VanDerWaalsContact CB-CZ 3.43Å; H266-F794 AromaticContact CD2-CZ 3.85Å; H266-F794 AromaticContact CG-CE1 3.41Å; H266-F794 VanDerWaalsContact CG-CE1 3.41Å; H266-F794 AromaticContact CG-CZ 3.56Å; H266-F794 AromaticContact ND1-CE1 3.58Å; P341-F794 HydrophobicContact CG-CZ 4.16Å; T776-F794 WeakPolarHBondContact O-CA 3.33Å; Y777-F794 HydrophobicContact CD1-CD1 4.09Å; Y777-F794 AromaticContact CD1-CE1 3.64Å; Y777-F794 HydrophobicContact CD1-CE1 3.64Å; Y777-F794 HydrophobicContact CD1-CZ 4.39Å; Y777-F794 HydrophobicContact CG-CD1 4.37Å; Y777-F794 HydrophobicContact CG-CE1 4.09Å; C792-F794 HydrophobicContact CB-CE2 3.97Å; F794-T796 PolarHBondContact O-N 3.23Å; F794-G797 PolarHBondContact O-N 3.37Å; F794-F798 HydrophobicContact CB-CB 4.35Å; F794-F798 HydrophobicContact CD2-CD1 4.33Å; F794-F798 PolarHBondContact N-O 2.85Å; F794-E800 HydrophobicContact CE2-CG 3.96Å
795	A	87	Confident	93	Very high	54 Å²	54	42.3 Å²	42.3	45%	0.446	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	4.9	178.2	0	0	0	0	0	115.1	T776 W778	T776-A795 HydrophobicContact CG2-CB 4.02Å; T776-A795 PolarHBondContact O-N 2.84Å; W778-A795 HydrophobicContact CH2-CB 4.24Å; W778-A795 HydrophobicContact CZ3-CB 4.1Å
796	T	82.6	Confident	93.4	Very high	90 Å²	90	39.4 Å²	39.4	55%	0.552	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.6	15.6	169.8	65	0	0	0	0	112.5	F794 F798	F794-T796 PolarHBondContact O-N 3.23Å; T796-F798 PolarHBondContact O-N 2.93Å
797	G	84.4	Confident	93.7	Very high	59 Å²	59	35.2 Å²	35.2	61%	0.608	22%	0.215	S	C	*	.	S	Bend	trans	67.8	10.9	-174.6	0	0	0	0	0	114.6	F794	F794-G797 PolarHBondContact O-N 3.37Å
798	F	89.4	Confident	93.9	Very high	50 Å²	50	36.3 Å²	36.3	22%	0.219	23%	0.226	C	C	.	.			trans	-88.2	143.1	177.6	-168.8	-109.7	0	0	0	110.9	D264 K265 H266 F794 T796 E800	D264-F798 VanDerWaalsContact O-CZ 3.25Å; D264-F798 WeakPolarHBondContact O-CZ 3.43Å; K265-F798 VanDerWaalsContact C-CE1 3.46Å; H266-F798 HydrophobicContact CB-CD1 4.36Å; F794-F798 HydrophobicContact CB-CB 4.35Å; F794-F798 HydrophobicContact CD2-CD1 4.33Å; F794-F798 PolarHBondContact N-O 2.85Å; T796-F798 PolarHBondContact O-N 2.93Å; F798-E800 HydrophobicContact CD1-CG 4.2Å; F798-E800 HydrophobicContact CE1-CG 3.67Å
799	M	94.3	Very high	93.8	Very high	61 Å²	61	38.3 Å²	38.3	30%	0.3	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	141.5	-176.6	-60.7	-176.1	-74.2	0	0	111.4	F791 C792 E793 N813 V815	F791-M799 HydrophobicContact CE2-CB 4.44Å; F791-M799 HydrophobicContact CE2-SD 4.41Å; F791-M799 HydrophobicContact CZ-SD 4.22Å; C792-M799 CarbonylContact O-C 3.59Å; C792-M799 VanDerWaalsContact O-CA 3.27Å; C792-M799 WeakPolarHBondContact O-CA 3.47Å; E793-M799 HydrophobicContact CG-CG 4.28Å; M799-N813 PolarHBondContact O-ND2 3.17Å; M799-N813 VanDerWaalsContact O-ND2 3.08Å; M799-V815 HydrophobicContact CB-CG2 3.93Å
800	E	95.4	Very high	93.8	Very high	0 Å²	0	38 Å²	38	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	143.5	172.1	-63.3	-179.6	-163.9	0	0	110.7	K265 H266 Y342 F791 C792 F794 F798 F802 N813	K265-E800 WeakPolarHBondContact CA-OE1 3.29Å; H266-E800 WeakPolarHBondContact CB-OE1 3.45Å; H266-E800 IonicContact CD2-OE1 3.69Å; H266-E800 IonicContact CG-OE1 2.7Å; H266-E800 PolarHBondContact N-OE1 3.44Å; Y342-E800 WeakPolarHBondContact CE1-OE2 3.49Å; Y342-E800 PolarHBondContact OH-OE1 3.03Å; Y342-E800 PolarHBondContact OH-OE2 2.96Å; F791-E800 CarbonylContact C-O 3.52Å; F791-E800 WeakPolarHBondContact CA-O 3.47Å; F791-E800 WeakPolarHBondContact CD2-O 3.48Å; C792-E800 HydrophobicContact CB-CB 4.29Å; C792-E800 PolarHBondContact N-O 3.3Å; C792-E800 PolarHBondContact O-N 3.29Å; F794-E800 HydrophobicContact CE2-CG 3.96Å; F798-E800 HydrophobicContact CD1-CG 4.2Å; F798-E800 HydrophobicContact CE1-CG 3.67Å; E800-F802 HydrophobicContact CB-CE2 3.67Å; E800-F802 HydrophobicContact CB-CZ 3.99Å; E800-F802 HydrophobicContact CG-CE2 4.44Å; E800-F802 HydrophobicContact CG-CZ 4.39Å; E800-F802 VanDerWaalsContact OE2-CE2 3.3Å; E800-F802 WeakPolarHBondContact OE2-CE2 3.38Å; E800-F802 WeakPolarHBondContact OE2-CZ 3.39Å; E800-N813 WeakPolarHBondContact CA-OD1 2.4Å
801	Y	97.1	Very high	93.7	Very high	26 Å²	26	39.8 Å²	39.8	10%	0.102	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	132.9	171	176.5	-92.4	0	0	0	110.7	F789 L790 F791 D803 N813 A814 L818 M826	F789-Y801 HydrophobicContact CB-CE2 3.63Å; F789-Y801 HydrophobicContact CD1-CE2 4.34Å; F789-Y801 HydrophobicContact CD2-CD2 4.44Å; F789-Y801 AromaticContact CD2-CE2 3.83Å; F789-Y801 HydrophobicContact CD2-CE2 3.83Å; F789-Y801 AromaticContact CG-CE2 3.71Å; F789-Y801 HydrophobicContact CG-CE2 3.71Å; L790-Y801 WeakPolarHBondContact O-CA 3.47Å; F791-Y801 HydrophobicContact CB-CD2 4.16Å; F791-Y801 HydrophobicContact CD2-CD2 4.38Å; Y801-D803 HydrophobicContact CE1-CB 4.26Å; Y801-N813 PolarHBondContact N-OD1 3.15Å; Y801-A814 HydrophobicContact CD1-CB 4.17Å; Y801-A814 PolarHBondContact O-N 3.5Å; Y801-L818 HydrophobicContact CD1-CD1 3.85Å; Y801-L818 HydrophobicContact CD1-CD2 4.3Å; Y801-L818 HydrophobicContact CD1-CG 4.22Å; Y801-L818 HydrophobicContact CD2-CD1 3.71Å; Y801-L818 HydrophobicContact CE1-CD1 4.3Å; Y801-L818 HydrophobicContact CE1-CD2 4.04Å; Y801-L818 HydrophobicContact CE1-CG 4.45Å; Y801-L818 HydrophobicContact CE2-CD1 4.15Å; Y801-L818 HydrophobicContact CG-CD1 3.54Å; Y801-L818 HydrophobicContact CG-CG 4.4Å; Y801-M826 HydrophobicContact CD2-CE 3.91Å; Y801-M826 HydrophobicContact CD2-SD 4.17Å; Y801-M826 HydrophobicContact CE2-CE 4.07Å; Y801-M826 HydrophobicContact CE2-SD 3.99Å
802	F	97.3	Very high	93.4	Very high	1 Å²	1	45.1 Å²	45.1	0%	0.004	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	132.5	175.2	-49.7	-80.4	0	0	0	109.7	Y342 F789 L790 E800 L804 Q810 I812 N813	Y342-F802 HydrophobicContact CD1-CE2 4.32Å; Y342-F802 AromaticContact CE1-CE2 3.69Å; Y342-F802 HydrophobicContact CE1-CE2 3.69Å; Y342-F802 AromaticContact CE1-CZ 3.88Å; Y342-F802 HydrophobicContact CE1-CZ 3.88Å; F789-F802 CarbonylContact C-O 3.41Å; F789-F802 VanDerWaalsContact CA-O 3.23Å; F789-F802 WeakPolarHBondContact CA-O 3.44Å; F789-F802 WeakPolarHBondContact CB-O 3.29Å; L790-F802 HydrophobicContact CD2-CD2 4.33Å; L790-F802 PolarHBondContact N-O 3.03Å; L790-F802 PolarHBondContact O-N 3.45Å; E800-F802 HydrophobicContact CB-CE2 3.67Å; E800-F802 HydrophobicContact CB-CZ 3.99Å; E800-F802 HydrophobicContact CG-CE2 4.44Å; E800-F802 HydrophobicContact CG-CZ 4.39Å; E800-F802 VanDerWaalsContact OE2-CE2 3.3Å; E800-F802 WeakPolarHBondContact OE2-CE2 3.38Å; E800-F802 WeakPolarHBondContact OE2-CZ 3.39Å; F802-L804 HydrophobicContact CB-CD1 4.37Å; F802-Q810 HydrophobicContact CB-CB 4.43Å; F802-Q810 HydrophobicContact CB-CG 3.96Å; F802-Q810 HydrophobicContact CD1-CB 3.72Å; F802-Q810 HydrophobicContact CD1-CG 4.18Å; F802-Q810 HydrophobicContact CD2-CB 4.09Å; F802-Q810 HydrophobicContact CD2-CG 3.91Å; F802-Q810 HydrophobicContact CE1-CB 3.94Å; F802-Q810 VanDerWaalsContact CE1-O 3.24Å; F802-Q810 WeakPolarHBondContact CE1-O 3.4Å; F802-Q810 HydrophobicContact CE2-CB 4.29Å; F802-Q810 HydrophobicContact CE2-CG 4.49Å; F802-Q810 HydrophobicContact CG-CB 3.8Å; F802-Q810 HydrophobicContact CG-CG 3.73Å; F802-Q810 HydrophobicContact CZ-CB 4.23Å; F802-I812 WeakPolarHBondContact CD1-O 3.48Å; F802-N813 HydrophobicContact CE1-CB 4.14Å; F802-N813 HydrophobicContact CZ-CB 4.34Å
803	D	96.3	Very high	93.3	Very high	49 Å²	49	46 Å²	46	26%	0.262	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	106	165.5	-178.9	-4.3	0	0	0	108.6	Y801 S805 T806 D807	Y801-D803 HydrophobicContact CE1-CB 4.26Å; D803-S805 PolarHBondContact O-N 3.4Å; D803-S805 WeakPolarHBondContact OD1-CB 3.48Å; D803-S805 PolarHBondContact OD1-N 3.05Å; D803-S805 PolarHBondContact OD1-OG 3.15Å; D803-T806 PolarHBondContact O-N 2.88Å; D803-T806 PolarHBondContact O-OG1 3.18Å; D803-T806 VanDerWaalsContact O-OG1 3.05Å; D803-D807 PolarHBondContact O-N 3.43Å
804	L	95.5	Very high	93.2	Very high	14 Å²	14	46.2 Å²	46.2	7%	0.073	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-2.9	-176.3	-63.4	89.4	0	0	0	112.6	E343 N788 L790 F802 T806 Q810	E343-L804 HydrophobicContact CG-CD2 3.28Å; N788-L804 PolarHBondContact O-N 3.12Å; L790-L804 HydrophobicContact CB-CD1 3.82Å; F802-L804 HydrophobicContact CB-CD1 4.37Å; L804-T806 VanDerWaalsContact C-N 3.27Å; L804-Q810 VanDerWaalsContact CD2-NE2 3.34Å
805	S	94.9	Very high	93.2	Very high	77 Å²	77	47 Å²	47	54%	0.538	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-27	165.1	-34.4	0	0	0	0	111.8	D803	D803-S805 PolarHBondContact O-N 3.4Å; D803-S805 WeakPolarHBondContact OD1-CB 3.48Å; D803-S805 PolarHBondContact OD1-N 3.05Å; D803-S805 PolarHBondContact OD1-OG 3.15Å
806	T	95	Very high	93.3	Very high	114 Å²	114	49.5 Å²	49.5	70%	0.699	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.4	-30.1	-177.2	51.4	0	0	0	0	113.8	D803 L804	D803-T806 PolarHBondContact O-N 2.88Å; D803-T806 PolarHBondContact O-OG1 3.18Å; D803-T806 VanDerWaalsContact O-OG1 3.05Å; L804-T806 VanDerWaalsContact C-N 3.27Å
807	D	95.5	Very high	93.6	Very high	21 Å²	21	50.6 Å²	50.6	11%	0.112	30%	0.303	C	S	.	.			trans	-128.2	72.8	179.7	-176.3	7.1	0	0	0	110.4	D803 Y809 Q810 L811 I812	D803-D807 PolarHBondContact O-N 3.43Å; D807-Y809 PolarHBondContact O-N 3.2Å; D807-Y809 PolarHBondContact OD1-N 3.18Å; D807-Q810 PolarHBondContact O-N 3.15Å; D807-Q810 PolarHBondContact OD1-N 2.84Å; D807-Q810 VanDerWaalsContact OD2-C 3.25Å; D807-Q810 WeakPolarHBondContact OD2-CA 3.47Å; D807-L811 PolarHBondContact OD1-N 2.96Å; D807-L811 PolarHBondContact OD2-N 3.43Å; D807-I812 PolarHBondContact OD2-N 3.34Å
808	P	94.8	Very high	93.9	Very high	68 Å²	68	49.8 Å²	49.8	44%	0.442	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-6.3	-179.5	28.4	-36	0	0	0	113.7	Q810	P808-Q810 VanDerWaalsContact C-NE2 3.25Å; P808-Q810 PolarHBondContact O-NE2 3.33Å
809	Y	95.1	Very high	94	Very high	84 Å²	84	50.1 Å²	50.1	33%	0.329	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.2	5.4	179.2	-61.5	-67.4	0	0	0	114.1	T254 P255 F332 D807 L811	T254-Y809 HydrophobicContact CG2-CD1 4.48Å; T254-Y809 HydrophobicContact CG2-CE1 4.12Å; P255-Y809 HydrophobicContact CB-CD2 3.89Å; P255-Y809 HydrophobicContact CB-CE2 4.34Å; P255-Y809 HydrophobicContact CB-CG 4.22Å; P255-Y809 HydrophobicContact CG-CD2 3.62Å; P255-Y809 HydrophobicContact CG-CE2 3.54Å; P255-Y809 HydrophobicContact CG-CG 4.22Å; F332-Y809 WeakPolarHBondContact CZ-O 3.4Å; D807-Y809 PolarHBondContact O-N 3.2Å; D807-Y809 PolarHBondContact OD1-N 3.18Å; Y809-L811 PolarHBondContact O-N 2.94Å
810	Q	96.4	Very high	93.6	Very high	2 Å²	2	53.8 Å²	53.8	1%	0.009	30%	0.299	C	S	.	.			trans	56.5	32.9	178	-59.7	88.9	79.6	0	0	113.9	K265 F332 Y342 E343 F802 L804 D807 P808 I812	K265-Q810 WeakPolarHBondContact CE-O 3Å; K265-Q810 PolarHBondContact NZ-O 2.79Å; F332-Q810 HydrophobicContact CZ-CB 4.2Å; F332-Q810 WeakPolarHBondContact CZ-O 3.47Å; Y342-Q810 HydrophobicContact CD1-CB 3.87Å; Y342-Q810 HydrophobicContact CD1-CG 4.05Å; Y342-Q810 HydrophobicContact CE1-CB 4.33Å; E343-Q810 VanDerWaalsContact N-OE1 3.14Å; F802-Q810 HydrophobicContact CB-CB 4.43Å; F802-Q810 HydrophobicContact CB-CG 3.96Å; F802-Q810 HydrophobicContact CD1-CB 3.72Å; F802-Q810 HydrophobicContact CD1-CG 4.18Å; F802-Q810 HydrophobicContact CD2-CB 4.09Å; F802-Q810 HydrophobicContact CD2-CG 3.91Å; F802-Q810 HydrophobicContact CE1-CB 3.94Å; F802-Q810 VanDerWaalsContact CE1-O 3.24Å; F802-Q810 WeakPolarHBondContact CE1-O 3.4Å; F802-Q810 HydrophobicContact CE2-CB 4.29Å; F802-Q810 HydrophobicContact CE2-CG 4.49Å; F802-Q810 HydrophobicContact CG-CB 3.8Å; F802-Q810 HydrophobicContact CG-CG 3.73Å; F802-Q810 HydrophobicContact CZ-CB 4.23Å; L804-Q810 VanDerWaalsContact CD2-NE2 3.34Å; D807-Q810 PolarHBondContact O-N 3.15Å; D807-Q810 PolarHBondContact OD1-N 2.84Å; D807-Q810 VanDerWaalsContact OD2-C 3.25Å; D807-Q810 WeakPolarHBondContact OD2-CA 3.47Å; P808-Q810 VanDerWaalsContact C-NE2 3.25Å; P808-Q810 PolarHBondContact O-NE2 3.33Å; Q810-I812 PolarHBondContact O-N 2.85Å
811	L	95	Very high	93.3	Very high	36 Å²	36	59.3 Å²	59.3	19%	0.188	33%	0.329	C	S	.	.			trans	-65.5	-33.1	-177.4	-58	-176.4	0	0	0	113.8	P255 Y259 K265 F332 D807 Y809	P255-L811 HydrophobicContact CB-CD1 4.26Å; Y259-L811 HydrophobicContact CD1-CD2 4.32Å; Y259-L811 HydrophobicContact CD2-CD2 4.31Å; Y259-L811 HydrophobicContact CG-CD2 4.16Å; K265-L811 PolarHBondContact NZ-O 2.83Å; F332-L811 HydrophobicContact CE1-CD2 4.22Å; D807-L811 PolarHBondContact OD1-N 2.96Å; D807-L811 PolarHBondContact OD2-N 3.43Å; Y809-L811 PolarHBondContact O-N 2.94Å
812	I	92	Very high	93	Very high	114 Å²	114	59.3 Å²	59.3	59%	0.585	33%	0.334	S	S	*	.	S	Bend	trans	-128.5	115.4	-172.5	-57.2	176.9	0	0	0	110.7	F802 D807 Q810 A814	F802-I812 WeakPolarHBondContact CD1-O 3.48Å; D807-I812 PolarHBondContact OD2-N 3.34Å; Q810-I812 PolarHBondContact O-N 2.85Å; I812-A814 PolarHBondContact O-N 2.98Å; I812-A814 VanDerWaalsContact O-N 3.15Å
813	N	94.6	Very high	92.7	Very high	17 Å²	17	60.7 Å²	60.7	9%	0.091	34%	0.341	C	S	.	.			trans	-69.9	108.7	172	-179.5	6.7	0	0	0	110.9	D264 M799 E800 Y801 F802 V815	D264-N813 HydrophobicContact CB-CB 4.1Å; D264-N813 WeakPolarHBondContact O-CB 3.48Å; D264-N813 PolarHBondContact O-ND2 2.86Å; D264-N813 VanDerWaalsContact OD2-CB 3.31Å; D264-N813 WeakPolarHBondContact OD2-CB 2.57Å; D264-N813 PolarHBondContact OD2-N 3.41Å; M799-N813 PolarHBondContact O-ND2 3.17Å; M799-N813 VanDerWaalsContact O-ND2 3.08Å; E800-N813 WeakPolarHBondContact CA-OD1 2.4Å; Y801-N813 PolarHBondContact N-OD1 3.15Å; F802-N813 HydrophobicContact CE1-CB 4.14Å; F802-N813 HydrophobicContact CZ-CB 4.34Å; N813-V815 WeakPolarHBondContact OD1-CB 3.03Å; N813-V815 PolarHBondContact OD1-N 3.34Å; N813-V815 VanDerWaalsContact OD1-N 3.1Å
814	A	93	Very high	92.4	Very high	26 Å²	26	62.7 Å²	62.7	22%	0.215	35%	0.352	C	S	.	.			trans	-95	15.6	-177.4	0	0	0	0	0	113.8	Y801 I812 S816 T817	Y801-A814 HydrophobicContact CD1-CB 4.17Å; Y801-A814 PolarHBondContact O-N 3.5Å; I812-A814 PolarHBondContact O-N 2.98Å; I812-A814 VanDerWaalsContact O-N 3.15Å; A814-S816 PolarHBondContact O-N 2.93Å; A814-T817 PolarHBondContact O-N 3.1Å; A814-T817 PolarHBondContact O-OG1 3.45Å
815	V	91.7	Very high	92.3	Very high	25 Å²	25	64.2 Å²	64.2	15%	0.152	36%	0.364	C	S	.	.	G	3₁₀ helix	trans	-59	-24.6	-177.1	82.4	0	0	0	0	113.7	F791 M799 N813 L823	F791-V815 HydrophobicContact CE2-CG2 4.36Å; M799-V815 HydrophobicContact CB-CG2 3.93Å; N813-V815 WeakPolarHBondContact OD1-CB 3.03Å; N813-V815 PolarHBondContact OD1-N 3.34Å; N813-V815 VanDerWaalsContact OD1-N 3.1Å; V815-L823 HydrophobicContact CG2-CD2 3.65Å
816	S	88.7	Confident	92.2	Very high	106 Å²	106	60.7 Å²	60.7	74%	0.741	34%	0.339	S	S	*	.	G	3₁₀ helix	trans	-78.1	-13.4	177.1	55.8	0	0	0	0	114.7	A814	A814-S816 PolarHBondContact O-N 2.93Å
817	T	90.2	Very high	92.1	Very high	112 Å²	112	58.4 Å²	58.4	69%	0.687	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-93.8	-1.7	177.5	70.2	0	0	0	0	113	A814	A814-T817 PolarHBondContact O-N 3.1Å; A814-T817 PolarHBondContact O-OG1 3.45Å
818	L	90.7	Very high	92	Very high	43 Å²	43	64 Å²	64	23%	0.225	35%	0.346	C	S	.	.	S	Bend	trans	-88.4	147.4	-179.4	-66.8	175.9	0	0	0	112	Y801 L823 M826	Y801-L818 HydrophobicContact CD1-CD1 3.85Å; Y801-L818 HydrophobicContact CD1-CD2 4.3Å; Y801-L818 HydrophobicContact CD1-CG 4.22Å; Y801-L818 HydrophobicContact CD2-CD1 3.71Å; Y801-L818 HydrophobicContact CE1-CD1 4.3Å; Y801-L818 HydrophobicContact CE1-CD2 4.04Å; Y801-L818 HydrophobicContact CE1-CG 4.45Å; Y801-L818 HydrophobicContact CE2-CD1 4.15Å; Y801-L818 HydrophobicContact CG-CD1 3.54Å; Y801-L818 HydrophobicContact CG-CG 4.4Å; L818-L823 HydrophobicContact CB-CD1 4.21Å; L818-L823 HydrophobicContact CB-CD2 4.18Å; L818-L823 HydrophobicContact CB-CG 3.91Å; L818-L823 HydrophobicContact CD1-CD2 3.62Å; L818-L823 HydrophobicContact CD1-CG 4.19Å; L818-M826 HydrophobicContact CD1-CE 3.61Å
819	D	90	Very high	91.9	Very high	56 Å²	56	64.3 Å²	64.3	30%	0.299	34%	0.341	S	S	.	.			trans	-72.3	151.1	168.8	177.3	49.9	0	0	0	111.9	N821 A822 L823	D819-N821 VanDerWaalsContact C-N 3.25Å; D819-N821 PolarHBondContact O-N 3.19Å; D819-N821 WeakPolarHBondContact OD2-CB 3.31Å; D819-N821 PolarHBondContact OD2-N 3.42Å; D819-N821 PolarHBondContact OD2-ND2 3.29Å; D819-A822 PolarHBondContact O-N 2.86Å; D819-L823 PolarHBondContact O-N 3.45Å
820	R	86.7	Confident	91.8	Very high	139 Å²	139	60.3 Å²	60.3	53%	0.525	33%	0.325	S	S	.	.	H	α-helix	trans	-57.7	-35.1	177.7	-69.9	-179.2	173.1	-177.8	-2.9	112.5	N824	R820-N824 WeakPolarHBondContact O-CB 3.37Å; R820-N824 PolarHBondContact O-N 3.34Å; R820-N824 PolarHBondContact O-ND2 2.87Å
821	N	89.3	Confident	91.6	Very high	116 Å²	116	62.6 Å²	62.6	62%	0.62	34%	0.337	S	S	*	.	H	α-helix	trans	-71.2	-37.9	179.5	-56.7	-67.2	0	0	0	111.7	D819 N824 S825	D819-N821 VanDerWaalsContact C-N 3.25Å; D819-N821 PolarHBondContact O-N 3.19Å; D819-N821 WeakPolarHBondContact OD2-CB 3.31Å; D819-N821 PolarHBondContact OD2-N 3.42Å; D819-N821 PolarHBondContact OD2-ND2 3.29Å; N821-N824 PolarHBondContact O-N 3.01Å; N821-S825 WeakPolarHBondContact O-CB 3.48Å; N821-S825 PolarHBondContact O-N 2.71Å
822	A	89.6	Confident	91.4	Very high	26 Å²	26	62.8 Å²	62.8	22%	0.215	35%	0.347	C	S	.	.	H	α-helix	trans	-65	-44.5	174.4	0	0	0	0	0	111.6	D819 S825 M826	D819-A822 PolarHBondContact O-N 2.86Å; A822-S825 PolarHBondContact O-N 2.81Å; A822-M826 WeakPolarHBondContact O-CG 3.23Å; A822-M826 PolarHBondContact O-N 3.29Å
823	L	91.5	Very high	91.5	Very high	30 Å²	30	58 Å²	58	16%	0.157	32%	0.323	C	S	.	.	H	α-helix	trans	-60.2	-48.7	174.2	-72.3	168.2	0	0	0	112	F791 V815 L818 D819 S825 M826 H827	F791-L823 HydrophobicContact CE2-CD2 3.9Å; V815-L823 HydrophobicContact CG2-CD2 3.65Å; L818-L823 HydrophobicContact CB-CD1 4.21Å; L818-L823 HydrophobicContact CB-CD2 4.18Å; L818-L823 HydrophobicContact CB-CG 3.91Å; L818-L823 HydrophobicContact CD1-CD2 3.62Å; L818-L823 HydrophobicContact CD1-CG 4.19Å; D819-L823 PolarHBondContact O-N 3.45Å; L823-S825 VanDerWaalsContact C-N 3.32Å; L823-S825 PolarHBondContact O-N 2.96Å; L823-M826 HydrophobicContact CD2-CE 4.21Å; L823-M826 PolarHBondContact O-N 2.85Å; L823-H827 WeakPolarHBondContact O-CB 3.49Å; L823-H827 PolarHBondContact O-N 3.14Å
824	N	91.3	Very high	91.4	Very high	90 Å²	90	60.5 Å²	60.5	48%	0.481	33%	0.331	S	S	.	.	H	α-helix	trans	-60.6	-39.3	177.3	-73.4	-16.4	0	0	0	112.3	R820 N821 H827 Q828	R820-N824 WeakPolarHBondContact O-CB 3.37Å; R820-N824 PolarHBondContact O-N 3.34Å; R820-N824 PolarHBondContact O-ND2 2.87Å; N821-N824 PolarHBondContact O-N 3.01Å; N824-H827 PolarHBondContact O-N 3.42Å; N824-Q828 WeakPolarHBondContact O-CB 3.34Å; N824-Q828 VanDerWaalsContact O-CG 3.3Å; N824-Q828 WeakPolarHBondContact O-CG 3.08Å; N824-Q828 PolarHBondContact O-N 3.26Å
825	S	92.1	Very high	91.3	Very high	46 Å²	46	63.1 Å²	63.1	32%	0.322	35%	0.347	S	S	.	.	H	α-helix	trans	-65.3	-42	176.4	-176.9	0	0	0	0	112.2	N821 A822 L823 Q828 Q829	N821-S825 WeakPolarHBondContact O-CB 3.48Å; N821-S825 PolarHBondContact O-N 2.71Å; A822-S825 PolarHBondContact O-N 2.81Å; L823-S825 VanDerWaalsContact C-N 3.32Å; L823-S825 PolarHBondContact O-N 2.96Å; S825-Q828 PolarHBondContact O-N 3.34Å; S825-Q829 PolarHBondContact O-N 3.08Å
826	M	93.8	Very high	91.4	Very high	4 Å²	4	62 Å²	62	2%	0.02	34%	0.341	C	S	.	.	H	α-helix	trans	-68.8	-38.7	176.6	-69.9	-171	-64.9	0	0	112	L780 F789 F791 Y801 L818 A822 L823 Q829 L830	L780-M826 HydrophobicContact CD2-CB 3.97Å; L780-M826 HydrophobicContact CD2-CG 4.05Å; F789-M826 HydrophobicContact CD2-SD 4.09Å; F789-M826 HydrophobicContact CE1-SD 4.45Å; F789-M826 HydrophobicContact CE2-CG 4.33Å; F789-M826 HydrophobicContact CE2-SD 3.47Å; F789-M826 WeakPolarHBondContact CE2-SD 3.3Å; F789-M826 HydrophobicContact CZ-CG 4.23Å; F789-M826 HydrophobicContact CZ-SD 3.68Å; F791-M826 HydrophobicContact CB-CE 4.43Å; F791-M826 HydrophobicContact CB-SD 3.91Å; F791-M826 HydrophobicContact CD1-CB 3.7Å; F791-M826 HydrophobicContact CD2-CE 3.93Å; F791-M826 HydrophobicContact CD2-SD 4.47Å; F791-M826 HydrophobicContact CE1-CB 3.91Å; F791-M826 HydrophobicContact CE2-CE 4.37Å; F791-M826 HydrophobicContact CG-CB 4.15Å; F791-M826 HydrophobicContact CG-CE 4.1Å; F791-M826 HydrophobicContact CG-SD 4.07Å; Y801-M826 HydrophobicContact CD2-CE 3.91Å; Y801-M826 HydrophobicContact CD2-SD 4.17Å; Y801-M826 HydrophobicContact CE2-CE 4.07Å; Y801-M826 HydrophobicContact CE2-SD 3.99Å; L818-M826 HydrophobicContact CD1-CE 3.61Å; A822-M826 WeakPolarHBondContact O-CG 3.23Å; A822-M826 PolarHBondContact O-N 3.29Å; L823-M826 HydrophobicContact CD2-CE 4.21Å; L823-M826 PolarHBondContact O-N 2.85Å; M826-Q829 PolarHBondContact O-N 3.17Å; M826-L830 VanDerWaalsContact O-CB 3.25Å; M826-L830 WeakPolarHBondContact O-CB 3.27Å; M826-L830 PolarHBondContact O-N 2.92Å
827	H	93	Very high	91.7	Very high	65 Å²	65	63.4 Å²	63.4	30%	0.301	33%	0.334	S	S	.	.	H	α-helix	trans	-58.3	-49.2	172.2	178.7	78.6	0	0	0	111.8	E793 L823 N824 Q829 L830 M831	E793-H827 VanDerWaalsContact CD-ND1 3.3Å; E793-H827 WeakPolarHBondContact OE1-CB 3.49Å; E793-H827 IonicContact OE1-CE1 3.57Å; E793-H827 IonicContact OE1-CG 3.22Å; E793-H827 IonicContact OE1-ND1 3.41Å; E793-H827 PolarHBondContact OE1-ND1 2.83Å; E793-H827 IonicContact OE2-CE1 2.7Å; E793-H827 IonicContact OE2-ND1 2.72Å; E793-H827 PolarHBondContact OE2-ND1 3.02Å; E793-H827 VanDerWaalsContact OE2-ND1 3.15Å; L823-H827 WeakPolarHBondContact O-CB 3.49Å; L823-H827 PolarHBondContact O-N 3.14Å; N824-H827 PolarHBondContact O-N 3.42Å; H827-Q829 PolarHBondContact O-N 3.25Å; H827-L830 PolarHBondContact O-N 3.33Å; H827-M831 VanDerWaalsContact CE1-CE 3.46Å; H827-M831 WeakPolarHBondContact CE1-CE 3.2Å; H827-M831 WeakPolarHBondContact O-CG 3.17Å; H827-M831 PolarHBondContact O-N 2.86Å
828	Q	92.4	Very high	91.8	Very high	140 Å²	140	58.4 Å²	58.4	65%	0.654	31%	0.305	S	S	*	.	H	α-helix	trans	-59.9	-45.3	176.7	-74.8	173.2	-7.5	0	0	112.1	N824 S825 L830 M831 G832	N824-Q828 WeakPolarHBondContact O-CB 3.34Å; N824-Q828 VanDerWaalsContact O-CG 3.3Å; N824-Q828 WeakPolarHBondContact O-CG 3.08Å; N824-Q828 PolarHBondContact O-N 3.26Å; S825-Q828 PolarHBondContact O-N 3.34Å; Q828-L830 VanDerWaalsContact C-N 3.35Å; Q828-L830 PolarHBondContact O-N 3.44Å; Q828-M831 PolarHBondContact O-N 3.39Å; Q828-G832 PolarHBondContact O-N 3.13Å
829	Q	93.3	Very high	91.7	Very high	73 Å²	73	59.5 Å²	59.5	34%	0.341	31%	0.308	S	S	.	.	H	α-helix	trans	-63.3	-40.5	176.9	-170.4	179.9	-0.1	0	0	111.9	S418 L780 S825 M826 H827 G832 L833	S418-Q829 PolarHBondContact OG-NE2 3.29Å; L780-Q829 HydrophobicContact CD1-CG 3.95Å; L780-Q829 HydrophobicContact CD2-CB 4.14Å; L780-Q829 HydrophobicContact CD2-CG 4.25Å; S825-Q829 PolarHBondContact O-N 3.08Å; M826-Q829 PolarHBondContact O-N 3.17Å; H827-Q829 PolarHBondContact O-N 3.25Å; Q829-G832 PolarHBondContact O-N 3.06Å; Q829-L833 WeakPolarHBondContact O-CG 3.28Å; Q829-L833 PolarHBondContact O-N 3.12Å
830	L	93.6	Very high	91.6	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-64.2	-43.5	176.9	-178.7	58.7	0	0	0	112	L420 W778 L780 F791 E793 M826 H827 Q828 G832 L833 R834	L420-L830 HydrophobicContact CD1-CD1 3.68Å; W778-L830 HydrophobicContact CB-CD1 3.92Å; W778-L830 HydrophobicContact CB-CD2 4.26Å; W778-L830 HydrophobicContact CB-CG 4.27Å; L780-L830 HydrophobicContact CB-CB 4.46Å; L780-L830 HydrophobicContact CB-CD1 4.23Å; F791-L830 HydrophobicContact CD1-CD2 4.37Å; F791-L830 HydrophobicContact CE1-CD2 4.18Å; E793-L830 HydrophobicContact CB-CD2 3.97Å; E793-L830 HydrophobicContact CG-CD2 3.78Å; M826-L830 VanDerWaalsContact O-CB 3.25Å; M826-L830 WeakPolarHBondContact O-CB 3.27Å; M826-L830 PolarHBondContact O-N 2.92Å; H827-L830 PolarHBondContact O-N 3.33Å; Q828-L830 VanDerWaalsContact C-N 3.35Å; Q828-L830 PolarHBondContact O-N 3.44Å; L830-G832 VanDerWaalsContact C-N 3.35Å; L830-L833 PolarHBondContact O-N 2.97Å; L830-R834 VanDerWaalsContact O-CB 3.22Å; L830-R834 WeakPolarHBondContact O-CB 3.49Å; L830-R834 PolarHBondContact O-N 2.89Å
831	M	91.4	Very high	91.7	Very high	51 Å²	51	63.6 Å²	63.6	25%	0.251	33%	0.329	S	S	.	.	H	α-helix	trans	-69	-32.2	177.3	-65	-56.6	161	0	0	112.7	E793 H827 Q828 R834 S835	E793-M831 WeakPolarHBondContact OE2-CE 3.39Å; H827-M831 VanDerWaalsContact CE1-CE 3.46Å; H827-M831 WeakPolarHBondContact CE1-CE 3.2Å; H827-M831 WeakPolarHBondContact O-CG 3.17Å; H827-M831 PolarHBondContact O-N 2.86Å; Q828-M831 PolarHBondContact O-N 3.39Å; M831-R834 PolarHBondContact SD-NH1 3.2Å; M831-S835 PolarHBondContact O-N 2.99Å; M831-S835 PolarHBondContact O-OG 2.85Å
832	G	91.8	Very high	91.8	Very high	40 Å²	40	58.3 Å²	58.3	41%	0.412	30%	0.301	S	S	.	.	H	α-helix	trans	-61.5	-49.5	169.7	0	0	0	0	0	112.3	Q828 Q829 L830 R834 S835 C836	Q828-G832 PolarHBondContact O-N 3.13Å; Q829-G832 PolarHBondContact O-N 3.06Å; L830-G832 VanDerWaalsContact C-N 3.35Å; G832-R834 PolarHBondContact O-N 2.04Å; G832-S835 PolarHBondContact O-N 3.06Å; G832-S835 PolarHBondContact O-OG 3.25Å; G832-C836 PolarHBondContact O-N 3.34Å
833	L	93.3	Very high	91.5	Very high	14 Å²	14	57.5 Å²	57.5	7%	0.073	29%	0.293	C	S	.	.	H	α-helix	trans	-67.8	-33.7	177.8	-67.4	174.2	0	0	0	113.2	H109 L420 L780 Q829 L830 S835 C836	H109-L833 PolarHBondContact CE1-O 3.45Å; L420-L833 HydrophobicContact CB-CB 4.1Å; L780-L833 HydrophobicContact CD1-CD1 3.72Å; Q829-L833 WeakPolarHBondContact O-CG 3.28Å; Q829-L833 PolarHBondContact O-N 3.12Å; L830-L833 PolarHBondContact O-N 2.97Å; L833-S835 PolarHBondContact O-N 3.24Å; L833-C836 PolarHBondContact O-SG 3.22Å
834	R	91.8	Very high	90.5	Very high	69 Å²	69	60.5 Å²	60.5	26%	0.26	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-13.8	177.2	179.3	179.5	167.2	-159.6	-3.3	113.9	H109 W778 L830 M831 G832	H109-R834 PolarHBondContact CD2-O 3.03Å; W778-R834 HydrophobicContact CG-CG 4.32Å; L830-R834 VanDerWaalsContact O-CB 3.22Å; L830-R834 WeakPolarHBondContact O-CB 3.49Å; L830-R834 PolarHBondContact O-N 2.89Å; M831-R834 PolarHBondContact SD-NH1 3.2Å; G832-R834 PolarHBondContact O-N 2.04Å
835	S	91.9	Very high	88.9	Confident	80 Å²	80	62.5 Å²	62.5	56%	0.559	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.4	3.1	-178.2	56.3	0	0	0	0	114	M831 G832 L833	M831-S835 PolarHBondContact O-N 2.99Å; M831-S835 PolarHBondContact O-OG 2.85Å; G832-S835 PolarHBondContact O-N 3.06Å; G832-S835 PolarHBondContact O-OG 3.25Å; L833-S835 PolarHBondContact O-N 3.24Å
836	C	93.8	Very high	87.1	Confident	3 Å²	3	67.4 Å²	67.4	2%	0.02	34%	0.336	C	S	.	.			trans	-72	147.6	-174.1	78.1	0	0	0	0	112.7	H109 N110 G832 L833 Q841 C842	H109-C836 PolarHBondContact NE2-O 2.89Å; H109-C836 VanDerWaalsContact NE2-O 3.13Å; N110-C836 PolarHBondContact ND2-O 3Å; G832-C836 PolarHBondContact O-N 3.34Å; L833-C836 PolarHBondContact O-SG 3.22Å; C836-Q841 HydrophobicContact CB-CB 3.94Å; C836-C842 VanDerWaalsContact C-SG 3.51Å; C836-C842 HydrophobicContact CB-CB 3.95Å; C836-C842 WeakPolarHBondContact CB-SG 3.36Å; C836-C842 WeakPolarHBondContact SG-CA 3.48Å; C836-C842 WeakPolarHBondContact SG-CB 3.49Å; C836-C842 CovalentContact SG-SG 2.04Å; C836-C842 PolarHBondContact SG-SG 2.9Å
837	K	94.1	Very high	84.2	Confident	135 Å²	135	70.7 Å²	70.7	59%	0.587	37%	0.372	S	S	*	.			trans	-138.5	128.5	173.6	-63.4	-168.7	176.2	-173.9	0	112.2	N110 Q841	N110-K837 VanDerWaalsContact OD1-CE 3.29Å; N110-K837 WeakPolarHBondContact OD1-CE 3.35Å; K837-Q841 WeakPolarHBondContact O-CB 3.42Å; K837-Q841 WeakPolarHBondContact O-CG 3.22Å; K837-Q841 PolarHBondContact O-OE1 3.1Å
838	G	92.6	Very high	81.2	Confident	7 Å²	7	70.7 Å²	70.7	7%	0.072	39%	0.389	C	S	.	.	H	α-helix	trans	72	157.3	-176.7	0	0	0	0	0	112.6	A386 M388 D389 K840 Q841 C842	A386-G838 VanDerWaalsContact O-CA 3.31Å; A386-G838 WeakPolarHBondContact O-CA 3.07Å; M388-G838 CarbonylContact O-C 3.6Å; M388-G838 WeakPolarHBondContact O-CA 3.21Å; D389-G838 WeakPolarHBondContact OD1-CA 3.29Å; D389-G838 PolarHBondContact OD1-N 3.28Å; G838-K840 PolarHBondContact O-N 3.3Å; G838-Q841 PolarHBondContact O-N 3.34Å; G838-C842 PolarHBondContact O-N 3.32Å; G838-C842 VanDerWaalsContact O-N 3.11Å
839	H	88.3	Confident	78.2	Confident	66 Å²	66	74.8 Å²	74.8	31%	0.306	40%	0.404	S	S	.	.	H	α-helix	trans	-55.5	-28.1	-169.7	78.6	91.9	0	0	0	114.1	M388 G390 N843	M388-H839 PolarHBondContact O-N 3.33Å; G390-H839 WeakPolarHBondContact O-CB 3.08Å; H839-N843 WeakPolarHBondContact O-CA 3.42Å; H839-N843 VanDerWaalsContact O-CB 3.27Å; H839-N843 WeakPolarHBondContact O-CB 3.31Å; H839-N843 PolarHBondContact O-N 2.89Å; H839-N843 PolarHBondContact O-ND2 3.26Å
840	K	87.3	Confident	75.2	Confident	162 Å²	162	80 Å²	80	70%	0.704	43%	0.429	S	S	*	.	H	α-helix	trans	-69.8	-37.5	179.9	-61.5	-174.7	-179	177.7	0	113.2	G838	G838-K840 PolarHBondContact O-N 3.3Å
841	Q	90.1	Very high	72.3	Confident	119 Å²	119	91.2 Å²	91.2	56%	0.556	47%	0.471	S	S	*	.	H	α-helix	trans	-85.4	-37.6	178.6	-62.3	-175.1	-3.8	0	0	111.3	C836 K837 G838 N843	C836-Q841 HydrophobicContact CB-CB 3.94Å; K837-Q841 WeakPolarHBondContact O-CB 3.42Å; K837-Q841 WeakPolarHBondContact O-CG 3.22Å; K837-Q841 PolarHBondContact O-OE1 3.1Å; G838-Q841 PolarHBondContact O-N 3.34Å; Q841-N843 VanDerWaalsContact C-N 3.34Å
842	C	90.6	Very high	69.6	Low	4 Å²	4	92.3 Å²	92.3	3%	0.027	48%	0.484	C	S	.	.	H	α-helix	trans	-80	-13.5	-179	-60.7	0	0	0	0	113.9	Y107 D389 C836 G838	Y107-C842 HydrophobicContact CE2-CB 4.06Å; D389-C842 HydrophobicContact CB-CB 4.2Å; C836-C842 VanDerWaalsContact C-SG 3.51Å; C836-C842 HydrophobicContact CB-CB 3.95Å; C836-C842 WeakPolarHBondContact CB-SG 3.36Å; C836-C842 WeakPolarHBondContact SG-CA 3.48Å; C836-C842 WeakPolarHBondContact SG-CB 3.49Å; C836-C842 CovalentContact SG-SG 2.04Å; C836-C842 PolarHBondContact SG-SG 2.9Å; G838-C842 PolarHBondContact O-N 3.32Å; G838-C842 VanDerWaalsContact O-N 3.11Å
843	N	84.5	Confident	66.7	Low	10 Å²	10	98.5 Å²	98.5	5%	0.053	50%	0.502	C	S	.	.	S	Bend	trans	-136.1	65.9	176.7	-44.4	-94.8	0	0	0	110.1	D389 K391 R416 H839 Q841 E845	D389-N843 PolarHBondContact O-ND2 2.9Å; K391-N843 HydrophobicContact CD-CB 4.36Å; R416-N843 VanDerWaalsContact CZ-OD1 3.25Å; R416-N843 PolarHBondContact NE-OD1 2.77Å; R416-N843 PolarHBondContact NH2-OD1 2.93Å; H839-N843 WeakPolarHBondContact O-CA 3.42Å; H839-N843 VanDerWaalsContact O-CB 3.27Å; H839-N843 WeakPolarHBondContact O-CB 3.31Å; H839-N843 PolarHBondContact O-N 2.89Å; H839-N843 PolarHBondContact O-ND2 3.26Å; Q841-N843 VanDerWaalsContact C-N 3.34Å; N843-E845 PolarHBondContact O-N 2.98Å
844	P	68.7	Low	64.1	Low	92 Å²	92	101.2 Å²	101.2	60%	0.597	51%	0.513	S	S	*	.			trans	-61.3	121.7	-179.4	26.8	-34.1	0	0	0	109.9	K846	P844-K846 PolarHBondContact O-N 3.22Å
845	E	58.5	Low	61.3	Low	133 Å²	133	103 Å²	103	62%	0.621	54%	0.536	S	S	*	.			trans	-76	117.7	-179.9	-57	-155.4	136.7	0	0	109.6	K391 N843 G847	K391-E845 IonicContact NZ-OE1 3.85Å; K391-E845 PolarHBondContact NZ-OE1 2.9Å; N843-E845 PolarHBondContact O-N 2.98Å; E845-G847 PolarHBondContact O-N 2.66Å
846	K	55	Low	58.3	Low	148 Å²	148	106.6 Å²	106.6	64%	0.643	54%	0.544	S	S	*	.			trans	-68.6	77.2	175.7	-71.1	-177	176.4	177.5	0	110.5	D417 P844	D417-K846 WeakPolarHBondContact OD2-CE 3.14Å; D417-K846 IonicContact OD2-NZ 3.1Å; D417-K846 PolarHBondContact OD2-NZ 3.48Å; P844-K846 PolarHBondContact O-N 3.22Å
847	G	32.7	Very low	55.4	Low	74 Å²	74	115.2 Å²	115.2	76%	0.763	58%	0.577	S	S	*	*			trans	-127	27.8	-162.9	0	0	0	0	0	115.8	E845	E845-G847 PolarHBondContact O-N 2.66Å
848	G	30	Very low	52.3	Low	64 Å²	64	118.2 Å²	118.2	66%	0.66	59%	0.585	S	S	*	*	S	Bend	trans	173.8	122.9	173.8	0	0	0	0	0	115.3	E850	G848-E850 PolarHBondContact O-N 3.15Å
849	K	30.1	Very low	49.4	Very low	226 Å²	226	123.8 Å²	123.8	98%	0.983	62%	0.62	S	S	*	*	S	Bend	trans	55.3	-31	166.9	-69.6	-172.4	174.1	-176.9	0	120.1	R851	K849-R851 PolarHBondContact O-N 2.97Å
850	E	29.7	Very low	46.7	Very low	182 Å²	182	127.1 Å²	127.1	85%	0.85	65%	0.645	S	S	*	*			trans	-91.9	92.5	179.3	-69.4	-171.9	175.6	0	0	112.3	G848	G848-E850 PolarHBondContact O-N 3.15Å
851	R	32.1	Very low	44.1	Very low	236 Å²	236	128.6 Å²	128.6	89%	0.891	65%	0.653	S	S	*	*			trans	-71.2	120.6	148	-80.1	-179.7	169	172.7	-4.1	106.9	K849	K849-R851 PolarHBondContact O-N 2.97Å
852	S	34.5	Very low	41.2	Very low	74 Å²	74	133.9 Å²	133.9	52%	0.517	67%	0.668	S	S	.	*			trans	-61.1	151.4	168.9	53.5	0	0	0	0	110.4	F854	S852-F854 PolarHBondContact O-N 3.35Å
853	H	30.6	Very low	38.4	Very low	171 Å²	171	145.6 Å²	145.6	79%	0.792	71%	0.712	S	S	*	*	S	Bend	trans	-65.9	13.5	-174.4	-111.4	-84	0	0	0	115.5	S855	H853-S855 PolarHBondContact O-N 2.66Å
854	F	39.4	Very low	35.9	Very low	71 Å²	71	155.1 Å²	155.1	31%	0.311	75%	0.753	S	S	.	*	T	Hydrogen-bonded Turn	trans	-75.8	2.8	-175.6	-110.9	-78	0	0	0	115	H787 S852	H787-F854 AromaticContact CD2-CE1 3.98Å; H787-F854 AromaticContact CE1-CD1 3.45Å; H787-F854 VanDerWaalsContact CE1-CD1 3.45Å; H787-F854 WeakPolarHBondContact CE1-CD1 3.25Å; H787-F854 AromaticContact NE2-CD1 3.27Å; H787-F854 VanDerWaalsContact NE2-CD1 3.27Å; H787-F854 WeakPolarHBondContact NE2-CD1 3.38Å; H787-F854 AromaticContact NE2-CE1 3.4Å; H787-F854 WeakPolarHBondContact NE2-CE1 3.5Å; S852-F854 PolarHBondContact O-N 3.35Å
855	S	32.3	Very low	33.9	Very low	106 Å²	106	161.9 Å²	161.9	74%	0.741	77%	0.767	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.3	-9	-174.5	-166.8	0	0	0	0	115	H853	H853-S855 PolarHBondContact O-N 2.66Å
856	E	30.5	Very low	32.5	Very low	155 Å²	155	161.5 Å²	161.5	72%	0.724	78%	0.776	S	S	*	*	S	Bend	trans	-116.9	-14.8	-170.9	-68.8	-172.5	119.6	0	0	115.3	R858	E856-R858 PolarHBondContact O-N 3.33Å
857	Y	32.9	Very low	31.4	Very low	184 Å²	184	164.4 Å²	164.4	72%	0.722	79%	0.788	S	S	*	*			trans	-77.6	96.1	-179.2	-104.4	-99.7	0	0	0	112.3
858	R	28.9	Very low	31.1	Very low	199 Å²	199	169.7 Å²	169.7	75%	0.751	80%	0.795	S	S	*	*			trans	-123.1	112.8	176	-164.6	-174.5	-153.1	172.7	13	111	E856 V860	E856-R858 PolarHBondContact O-N 3.33Å; R858-V860 WeakPolarHBondContact O-CG2 3.39Å; R858-V860 PolarHBondContact O-N 3Å; R858-V860 VanDerWaalsContact O-N 3.16Å
859	P	30.6	Very low	31.1	Very low	123 Å²	123	176.1 Å²	176.1	80%	0.799	81%	0.805	S	S	*	*			trans	-59	117.6	176.5	-26	35.5	0	0	0	112.3	H861	P859-H861 VanDerWaalsContact C-N 3.28Å; P859-H861 PolarHBondContact O-N 3.06Å
860	V	32.2	Very low	31	Very low	137 Å²	137	174.9 Å²	174.9	83%	0.83	80%	0.8	S	S	*	*			trans	-84.8	63.1	-171.2	-169	0	0	0	0	111.9	R858	R858-V860 WeakPolarHBondContact O-CG2 3.39Å; R858-V860 PolarHBondContact O-N 3Å; R858-V860 VanDerWaalsContact O-N 3.16Å
861	H	32.2	Very low	31	Very low	192 Å²	192	172 Å²	172	89%	0.889	80%	0.797	S	S	*	*			trans	-130.1	70.8	173	-87.6	5	0	0	0	112.5	P859	P859-H861 VanDerWaalsContact C-N 3.28Å; P859-H861 PolarHBondContact O-N 3.06Å
862	R	29.1	Very low	30.9	Very low	230 Å²	230	166.4 Å²	166.4	87%	0.868	79%	0.794	S	S	*	*			trans	-106.1	104.8	158	-86.1	-172.1	169	-171.7	-3.6	110.2	K864	R862-K864 PolarHBondContact O-N 3.49Å
863	R	33.2	Very low	30.8	Very low	250 Å²	250	168.3 Å²	168.3	94%	0.943	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-57.4	127.2	160.8	-78.1	-177.9	170.1	178.3	-3.9	108.3	R865	R863-R865 PolarHBondContact O-N 3.07Å
864	K	30.9	Very low	30.8	Very low	210 Å²	210	169.8 Å²	169.8	91%	0.913	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-67.2	120.7	179	-66.9	174.1	179.8	172.2	0	109.4	R862	R862-K864 PolarHBondContact O-N 3.49Å
865	R	27.5	Very low	30.3	Very low	235 Å²	235	171 Å²	171	89%	0.887	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-88.7	147.6	155.8	-78.5	-173	172.3	-177.7	-2.6	108.9	R863	R863-R865 PolarHBondContact O-N 3.07Å
866	P	29.4	Very low	30	Very low	125 Å²	125	174.6 Å²	174.6	81%	0.812	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-62.6	154.9	-179.9	-23.1	34.6	0	0	0	113.5	M868	P866-M868 PolarHBondContact O-N 2.88Å
867	K	29.9	Very low	29.8	Very low	209 Å²	209	170.8 Å²	170.8	91%	0.909	84%	0.84	S	S	*	*			trans	-81.5	107.1	173.8	-65	179.7	-178.6	178	0	110.1
868	M	27	Very low	29.8	Very low	184 Å²	184	170.8 Å²	170.8	91%	0.906	85%	0.847	S	S	*	*	P	Polyproline II helix	trans	-79.7	138.3	158.7	-67.3	-170.2	81.9	0	0	109.8	P866	P866-M868 PolarHBondContact O-N 2.88Å
869	K	29.6	Very low	29.8	Very low	200 Å²	200	169.6 Å²	169.6	87%	0.87	85%	0.854	S	S	*	*	P	Polyproline II helix	trans	-75.1	142.9	172.4	-66.8	178.8	179	177.1	0	109.4
870	K	29.2	Very low	29.6	Very low	200 Å²	200	174.1 Å²	174.1	87%	0.87	86%	0.855	S	S	*	*	P	Polyproline II helix	trans	-75.5	136.2	163.6	-72.2	-173.2	174.9	-173.2	0	109.4
871	P	30	Very low	29.4	Very low	121 Å²	121	176 Å²	176	79%	0.786	85%	0.854	S	S	*	*	P	Polyproline II helix	trans	-72.6	158.2	157.4	32.3	-32.9	0	0	0	110.6
872	S	28.9	Very low	29	Very low	118 Å²	118	170 Å²	170	83%	0.825	85%	0.845	S	S	*	*	P	Polyproline II helix	trans	-82.2	158.4	174.5	50.2	0	0	0	0	112.3
873	S	33.4	Very low	28.8	Very low	114 Å²	114	171.4 Å²	171.4	80%	0.797	85%	0.85	S	S	*	*	P	Polyproline II helix	trans	-70.4	144.2	176.9	45	0	0	0	0	113.6
874	K	29.4	Very low	28.5	Very low	202 Å²	202	166.3 Å²	166.3	88%	0.878	85%	0.846	S	S	*	*			trans	-165.9	142.7	141.2	-111	170.4	-174.1	-176.1	0	112.7
875	S	28.9	Very low	28.6	Very low	96 Å²	96	163.2 Å²	163.2	67%	0.671	88%	0.875	S	S	*	*			trans	45.4	124	150.7	58.6	0	0	0	0	122.8
876	L	26.8	Very low	28.6	Very low	183 Å²	183	159.7 Å²	159.7	96%	0.958	87%	0.874	S	S	*	*			trans	65.2	147.1	131.8	-67.3	165.9	0	0	0	120.7
877	G	26.7	Very low	28.6	Very low	74 Å²	74	161.5 Å²	161.5	76%	0.763	88%	0.877	S	S	*	*			trans	126.4	109	165.4	0	0	0	0	0	114.1
878	Q	31.6	Very low	28.5	Very low	184 Å²	184	158.8 Å²	158.8	86%	0.86	88%	0.875	S	S	*	*			trans	-77.3	149.2	147.8	-64.2	167.4	-83.2	0	0	107.8
879	I	28.6	Very low	28.6	Very low	174 Å²	174	157.4 Å²	157.4	89%	0.892	87%	0.874	S	S	*	*			trans	-164.9	162.7	138	-103.2	153.2	0	0	0	108.7
880	W	26.4	Very low	28.5	Very low	219 Å²	219	154.7 Å²	154.7	83%	0.83	87%	0.874	S	S	*	*			trans	-92.8	-176.9	-166.6	-93.1	64.1	0	0	0	113.9
881	E	28.3	Very low	28.5	Very low	175 Å²	175	151.7 Å²	151.7	82%	0.818	87%	0.874	S	S	*	*			trans	73.5	129.8	161.1	-75	150.4	-132.3	0	0	117.3
882	G	24.6	Very low	28.4	Very low	66 Å²	66	153.9 Å²	153.9	68%	0.68	88%	0.881	S	S	*	*			trans	-106.2	-177.6	170.3	0	0	0	0	0	110.6
883	W	24.6	Very low	28.3	Very low	261 Å²	261	156.6 Å²	156.6	99%	0.989	89%	0.885	S	S	*	*			trans	-148.5	162.4	157.2	-108.4	86.7	0	0	0	109.1
884	V	26.5	Very low	27.9	Very low	142 Å²	142	160.2 Å²	160.2	86%	0.861	89%	0.892	S	S	*	*			trans	-94.1	142.5	-175.9	177.9	0	0	0	0	110.9
885	G	32.6	Very low	27.8	Very low	146 Å²	146	156.4 Å²	156.4	100%	1.505	89%	0.893	S	S	*	*			trans	-160.8	0	169.6	0	0	0	0	0	110.3

Retrieved 885 of 885 residues in 533.6 ms (Link to these results)

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